Angiotensin I-¹³C₁₉,¹⁵N₃ (human, mouse, rat)

Metabolic abnormalities lead to dysfunction of metabolic pathways and the accumulation or lack of metabolites, which are recognized hallmarks of the disease. The metabolite signature is closely related to the disease phenotype and is very useful for predicting the diagnosis and prognosis of the disease as well as monitoring treatment. Metabolites can be used as disease markers for diagnostic therapy. As the classic model of disease experiment in vivo, mice metabolites also play a role in disease diagnosis and mechanism research.

MCE provides 331 mouse metabolites that can be used in disease research.

The composition of endogenous metabolite compounds is affected by the upstream influence of the proteome and genome as well as environmental factors, lifestyle factors, medication, and underlying disease. Therefore, metabolites have been described as proximal reporters of disease because their abundances in biological specimens are often directly related to pathogenic mechanisms. In more recent years, metabolomics approach has been adopted or suggested to be used in various research areas including drug discovery, neurosciences, agriculture, food and nutrition, and environmental sciences.

MCE owns a unique collection of 820 human endogenous metabolites, all of which are derived from human issues. This library is a powerful tool for metabonomics research and metabolism-related drug discovery.

Human metabolism is an integral part of cellular function that reflects individual differences in health, disease, diet, and lifestyle. Many health conditions such as obesity, diabetes, hypertension, heart disease, and cancer are associated with abnormal metabolic states. In the pathological state of the human body, metabolic pathways are significantly altered, resulting in aberrant levels of intermediates or end-products that can be viewed as potential diagnostic biomarkers or even therapeutic targets. Therefore, detection, identification and quantification of human metabolites are very important for drug metabolism research in drug development.

MCE offers a unique collection of 6,416 human metabolites, including endogenous metabolites and exogenous metabolites, covering multiple structure types, such as lipids, amino acids, nucleic acids, carbohydrates, organic acids, biogenic amines, vitamins,. MCE Human Metabolites Library is a helpful tool for studying the relationship between diseases and metabolism.

Cancer is a multi-step process which involves initiation, promotion and progression. Chemical carcinogens can alter any of these processes to induce their carcinogenic effects. People are continuously exposed exogenously to varying amounts of chemicals that have been shown to have carcinogenic or mutagenic properties in experimental systems. Exposure can occur exogenously when these agents are present in food, air or water, and also endogenously when they are products of metabolism or pathophysiologic states such as inflammation. The administration of chemical carcinogens is one of the most commonly used methods to induce tumors in several organs in laboratory animals in order to study oncologic diseases of humans. MCE offers a unique collection of 138 chemical carcinogens which have been identified with carcinogenic activity either in humans or in animal models. MCE Tumorigenesis-Related Compound Library is a powerful tool for studying oncologic diseases of humans. Standard opration based on safety data sheet will not cause harm to the body.

Metabolomics, positioned as the systemic characterization of small-molecule metabolites within biological systems, has emerged as an indispensable analytical platform in both fundamental research and translational applications across plant sciences, microbial biotechnology, and biomedical investigations. Functioning as a critical component in multi-omics integration, this discipline deciphers the intricate molecular networks operating downstream of genomic, transcriptomic, and proteomic regulation, thereby capturing the dynamic biochemical phenotype closest to organismal functionality. The metabolome, comprising endogenous compounds with molecular weights typically below 1500 Da, serves as the functional readout of cellular processes and environmental interactions, where perturbations in metabolic networks are frequently implicated in disease pathogenesis. Such unique attributes have propelled metabolomics into a pivotal role in pharmacological research, particularly in target deconvolution, pharmacodynamic assessment, and mechanistic elucidation of pathological processes.

MCE can provide 5,506 mass spectrometry human metabolites that can be used for metabolite identification and quantification, functional cell detection and phenotypic screening of mass spectrometry.

Metabolomics is the large-scale study of cellular metabolic complement, with proven utility in both basic and applied studies of plants, microorganisms, and mammals. As an important tool for the study of complex biological systems, metabolomics monitors the complex molecular networks that exist in the natural flow of information from genes to mRNA and proteins to organisms. The metabolome is composed of biomolecules that most closely resemble the phenotype of an organism, and changes in its composition can easily lead to the production of diseases. Therefore, metabolomics has received much attention in drug target discovery, drug response and translational research of disease mechanisms. Mass spectrometry-based metabolomics methods can simultaneously detect and quantify thousands of metabolite signatures, thereby characterizing the pathophysiological mechanisms of various biomedical symptoms.

MCE can provide 638 mass spectrometry human endogenous metabolites that can be used for metabolite identification and quantification, functional cell detection and phenotypic screening of mass spectrometry.

The majority of hypertensive patients have primary (or essential) hypertension, that is, hypertension in which secondary causes are not present. Management aims to control arterial pressure, prevent end-organ damage (cerebrovascular, cardiovascular, and renal), and reduce the risk of premature death.

Antihypertensive drugs may be divided into two broad groups, the first group being those which directly or indirectly block the renin–angiotensin system (RAS), for example, ACEIs, angiotensin receptor antagonists (ARAs), direct renin inhibitors (DRIs), and to a lesser extent β-blockers. The second group of drugs works by increasing water and sodium excretion, thereby reducing intravascular volume, or by causing vasodilatation through non-RAS pathways, for example, diuretics and calcium channel blockers (CCBs).

MCE offers a unique collection of 795 compounds with identified and potential antihypertensive activity. MCE Antihypertensive Compound Library is critical for antihypertensive drug discovery and development.

GPCRs are a large family of cell surface receptors that respond to a variety of external signals. Binding of a signaling molecule to a GPCR results in G protein activation, which in turn triggers the production of any number of second messengers. GPCRs play an important role in the human body, and increased understanding of these receptors has greatly affected modern medicine. In fact, researchers estimate that between one-third to one-half of all approved drugs act by binding to GPCRs. GPCRs are a large group of drug targets in drug discovery.

MCE provides a unique collection of 3,070 small molecules targeting GPCRs that can be used in the screening for various GPCRs-related research and drug development projects.

Hormones are a class of biologically active substances secreted by endocrine gland cells, which are transported through the circulatory system to various parts of the body, and precisely act on specific target organs or cells, playing a crucial role in regulating the growth, development, metabolism, and reproduction of organisms. The mechanisms of hormone action are diverse and complex. Some hormones (such as corticosteroids, vitamin D, and thyroid hormones) can enter the cell interior and interact with receptors in the nucleus, thereby regulating gene expression and affecting cell function. Other hormones (such as growth hormone and thyrotropin-releasing hormone) bind directly to receptors on the cell surface, exerting their effects by regulating enzyme activity or influencing the state of ion channels. Additionally, hormones play a key role in the study of endocrine and metabolic diseases, and are closely related to the development of diseases such as diabetes and thyroid diseases.

MCE has included 87 human hormone compounds, which is of great significance for the study of human metabolic pathways, and can also be used to build a metabonomics database.

COVID-19 poses a serious threat to people's health, and it is urgent to develop drugs to treat COVID-19 quickly. The screening of anti-COVID-19 drugs by using the clinical and approved compounds can greatly shorten the research and development cycle. In addition, the virtual screening technology can effectively narrow the scope of screening and improve the screening efficiency in the pre-screening of new drugs.

Taking advantage of our virtual screening, we conduct virtual screening of approved compound library and clinical compound library based on the 3CL protease (PDB ID: 6LU7), Spike Glycoprotein (PDB ID: 6VSB), NSP15 (PDB ID: 6VWW), RDRP, PLPro and ACE2 (Angiotensin Converting Enzyme 2) structure. We design a unique collection of 1,453 compounds which may have anti-COVID-19 activity. Anti-COVID-19 Compound Library will be a powerful tool for screening new anti-COVID-19 activity drugs.

Nuclear receptors (NR) are proteins found in cells that sense androgen and thyroid hormones and certain other molecules. They are ligand-activated transcription factors that participate in many aspects of human physiology and pathology, and regulate the expression of various important genes.

Nuclear receptors have become one of the main targets in the development of new drug strategies, providing a unique type of receptors for studying a variety of human diseases, such as breast cancers, skin disorders and diabetes. 13% of U.S. Food and Drug Administration (FDA) approved drugs target nuclear receptors.

MCE supplies a unique collection of 924 nuclear receptor inhibitors and activators, all of which have the identified inhibitory or activated effect on nuclear receptor. MCE Nuclear Receptor Library is a useful tool for drugs research related to cancer, skin disease and diabetes.

Accumulating evidence has revealed that intestinal microbiota play an important role in human health and disease, including cardiovascular diseases, inflammatory bowel disease, diabetes, obesity, cancer, and depression, etc. Changes in the composition of gut microbiota associated with disease, referred to as dysbiosis, have been linked to pathologies. Indeed, the gut microbiome functions like an endocrine organ, generating bioactive metabolites which play important roles in human metabolism, health, and disease. Gut microbiome has become a novel therapeutic target for many diseases. Analysis and identification of gut microbial metabolite will contribute to the development of therapeutic methods.

In order to meet the need of gut microbiome research, MCE carefully selected a unique collection of 499 gut microbial metabolites. MCE gut microbial metabolite library is a powerful tool for gut microbiome research and gut microbiome -related drug discovery.

A parasite is an organism that lives on or in a host organism and gets its food from or at the expense of its host. Parasites of humans include protozoans, helminths, and ecto-parasites (organisms that live on the external surface of a host). They are responsible for many diseases and are transmitted to their hosts most often through the ingestion of contaminated food, water or through the bite of an arthropod (e.g., a fly or tick), which can act as an intermediate host and as a vector. Parasitic diseases of humans are a major global health problem causing significant morbidity and mortality, especially in developing countries. Each year there are hundreds of millions of people infected with disease-causing parasites, particularly in tropical and subtropical regions of the world, resulting in an estimated one million deaths. Therefore, there is a dire need of novel anti-parasitic drugs.

MCE has a unique collection of 583 compounds with validated anti-parasitic activity which offer researchers an opportunity to screen novel anti-parasitic targets.

Radiation sickness is a general term for various types and degrees of damage (or disease) occurring in the human body after exposure to ionizing radiation. Although small amounts of ionizing radiation can also cause the body to produce free radicals and ROS, causing oxidative stress, resulting in DNA damage and chromosomal aberration. Radioprotector are compounds with radiation protection that can be used to prevent/protect non-tumor cells from the harmful effects of radiation. Radioprotective compounds can prevent the damage of radioactive substances to the human body and reduce the clinical symptoms of various radioactive diseases. In addition, radioprotectors can protect normal cells from damage during radiation therapy. The ideal anti-radiation drug should not affect the sensitivity of tumor cells to radiation therapy while protecting normal cells.

MCE designs a unique collection of 2,413 radioprotectors. Radioprotector Library is an effective tool for acute Radiation Syndrome, drug combination research with radiation drugs.

Lysine is the second most common target residue used in the design of TCIs and related covalent ligands. Its appeal lies in its abundance in human proteins, which is approximately three times higher than that of cysteine (5.8% vs. 1.9%). This significantly increases the number of proteins suitable for covalent targeting, especially given that many human proteins lack ligandable cysteine residues. Moreover, it has been suggested that functional lysines have a lower probability of being replaced by mutation, as they often play a crucial role in catalysis by acting as bases or nucleophiles. Additionally, lysines are essential for maintaining the structural integrity of proteins and for regulating post-translational modifications (PTMs). Consequently, targeting lysine has garnered significant interest in recent years.

Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 445 fragment molecules which can target lysine residue and can be used for fragment-based covalent drug discovery.

Cancer is the second leading cause of death worldwide and a serious threat to human health. Multiple treatments have been developed for cancer treatment, but new anti-cancer drugs still need to be developed urgently. Approved drugs, have well-characterized bioactivities, safety and bioavailability properties, will dramatically accelerate drug development.

MCE offers a unique collection of 1,496 approved drugs with anti-cancer activity, which can be used for discovery of new anti-cancer drugs or as positive compounds used for anti-cancer research.

Neurotransmitters are chemical messengers that allows a neuron's electrical signal to pass to a postsynaptic neuron or effect target. Neurotransmitters include amino acids, monoamines, and peptides, while other neurotransmitters are composed of metabolites such as nitric oxide and carbon monoxide. The function of neurotransmitters is closely related to the disease of life, helping to regulate the body's heartbeat, blood pressure, breathing, sleep, aging and muscle activity. Therefore, research based on neurotransmitters can help to increase human understanding of diseases.

MCE collects and organizes 57 neurotransmitters and is a tool library for drug screening and mechanism research.

Proteolysis-targeting chimera (PROTAC) has been developed to be a useful technology for targeted protein degradation. PROTACs consist of a ligand for E3 ligase (E3 ligase binder), a linker and a ligand (mostly small-molecule inhibitor) for protein of interest（target binder）. Upon binding to the target protein, the PROTACs can recruit E3 for target protein ubiquitination, which is subjected to proteasome-mediated degradation.

Although there are more than 600 E3 ubiquitin ligases, only several with small molecule ligands have been used for designing PROTACs, including Skp1-Cullin-F box complex containing Hrt1 (SCF), Von Hippel-Lindau tumor suppressor (VHL), Cereblon (CRBN), inhibitor of apoptosis proteins (IAPs), and mouse double minute 2 homolog (MDM2).

MCE carefully prepared a unique collection of 94 ligands for E3 ligase, which have been reported to be used in PROTAC design. MCE E3 ligase ligand library is a useful tool for PROTAC development.

Ossification is a tightly regulated process, performed by specialized cells called osteoblasts. Dysregulation of this process may cause inadequate or excessive mineralization of bones or ectopic calcification, all of which have grave consequences for human health.

Osteoblasts play important roles in the process of osteogenesis and prevention of osteonecrosis. Osteoblast formation and bone formation are regulated by hormones, growth factors, cytokines, etc.

MCE offers a unique collection of 746 bone formation compounds with identified and potential inducing osteogenesis activity. MCE bone formation compound library is a useful tool for the study of bone disease drugs and pharmacology.

Polysaccharides are long chains of carbohydrate molecules, consisting of multiple smaller monosaccharides. Polysaccharides are found mainly in natural sources such as plants, microorganisms, algae and animals. Polysaccharides have a large number of active functional groups, different chemical compositions and different molecular weight ranges, which determines their diversity in nature and structure. Also in the field of medical research, polysaccharides act as a class of functional compounds and thus play a role. For example, nanocarrier construction, immunomodulation and vaccine development, new strategies for antitumor therapy, tissue regeneration engineering applications and disease diagnosis. With the advancement of glycomics and synthetic biotechnology, human beings are moving from “knowing polysaccharides” to “designing polysaccharides”, which will provide innovative solutions for materials science, precision medicine and sustainable development.

MCE offers 70 polysaccharides that can be used in biomedical studies.

A membrane protein is a protein molecule that is attached to or associated with the membrane of a cell or an organelle. Membrane proteins can be classified into two groups based on how the protein is associated with the membrane: integral membrane proteins and peripheral membrane proteins. In humans, about 30% genome encodes membrane proteins. Membrane proteins perform a variety of functions vital to the survival of organisms, for example, signal transduction, molecules or ion transportation, enzymatic catalysis, and intercellular communication. Membrane proteins also play important roles in drug discovery. As reported, more than 60% of current drug targets are membrane proteins.

MCE supplies a unique collection of 6,922 compounds targeting a variety of membrane proteins. MCE Membrane Protein-targeted Compound Library can be used for membrane protein-focused screening and drug discovery.

Kinases are enzymes that catalyze the addition of phosphate groups to substrate molecules, a process known as phosphorylation. Protein phosphorylation serves as a critical regulatory mechanism for numerous cellular processes, including cell division, metabolism, and signal transduction. The human genome encodes over 500 kinases, which collectively regulate approximately 50% of cellular functions. Due to their pivotal roles, kinases represent one of the most important target classes in drug development.

Kinase inhibitors can selectively block the activity of disease-associated kinases, making them valuable therapeutics for conditions such as cancer and inflammatory diseases. FDA-approved kinase inhibitors have undergone extensive preclinical and clinical studies, demonstrating high bioactivity, favorable safety profiles, and good bioavailability, rendering them suitable for investigating new therapeutic indications.

Cancer is the second leading cause of death globally and seriously threatens human health. A neoplasm and malignant tumor are other common names for cancer. Disruption of the normal regulation of cell-cycle progression and division lies at the heart of the events leading to cancer. Target therapy, which targets proteins that control how cancer cells grow, divide and spread, plays an important role in cancer treatment. Recent studies mainly focus on targeting the key proteins for cancer surviving, cancer stem cells, the tumor microenvironment, tumor immunology, etc.

MCE designs a unique collection of 9,732 anti-cancer compounds that target kinases, cell cycle key components, tumorigenesis related signaling pathways, etc. MCE Anti-cancer compound library is a useful tool for anti-cancer drug screening.

Transcription is the essential first step in the conversion of the genetic information in the DNA into protein and the major point at which gene expression is controlled. Transcription of protein-coding genes is accomplished by the multi-subunit enzyme RNA polymerase II and an ensemble of ancillary proteins, called transcription factors (TFs). Transcription factors play an important role in the long-term regulation of cell growth, differentiation and responses to environmental cues. Deregulated transcription factors contribute to the pathogenesis of a plethora of human diseases, ranging from diabetes, inflammatory disorders and cardiovascular disease to many cancers, and thus these proteins hold great therapeutic potential.

MCE offers a unique collection of 2,016 compounds with validated transcription factor targets modulating properties. MCE transcription factor-targeted compound library is an effective tool for researching transcription factors as drug targets as well as modulation of TFs for different therapeutic applications.

Inflammation promotes physiological and pathological processes by the activation of the immune system, local vascular system, and various cells within the damaged tissue. Accumulating epidemiological and clinical evidence shows that chronic inflammation is causally linked to various human diseases, including cerebrovascular, cardiovascular, joint, cutaneous, pulmonary, blood, liver, and intestinal diseases as well as diabetes.

Various natural products from Traditional Chinese Medicine (TCM) have been shown to safely suppress proinflammatory pathways and control inflammation-associated disease. MCE designs a unique collection of 1,386 Traditional Chinese Medicine active compounds with anti-inflammatory activity, which are derived from Coptis chinensis, Radix isatidis, Flos Lonicerae, Forsythia suspensa, etc. MCE Anti-inflammatory Traditional Chinese Medicine Active Compound Library is a useful tool for discovery anti-inflammatory drugs from TCM.

On May 15, 2024, "Dimerization and antidepressant recognition at noradrenaline transporter" was published online by Nature. The research findings were an effort from Shanghai Institute of Materia Medica, Chinese Academy of Sciences. This study unraveled the important neural system target - the noradrenaline transporter (NET), obtaining the binding modes of human NET homodimers with the natural substrate norepinephrine (NE) and six selective antidepressants. It laid an important theoretical foundation for understanding the physiological regulation mechanisms of NET and other monoamine transporters.

The Norepinephrine Transporter (NET) Compound Library is obtained by computer-aided virtual screening based on the HY-L901 compound library . The specific screening process includes molecular docking screening, key pharmacophore screening, and CNS-MPO screening, which can be used for new drug discovery targeting the noradrenaline transporter.

Kinase is an enzyme that adds phosphate groups to other molecules. This process is known as phosphorylation. Protein phosphorylation is a key aspect in the regulation of a large number of cellular processes including cellular division, metabolism, signal transduction, and so on. There are over 500 kinases encoded by the human genome and it has been estimated that kinases regulate approximately 50% of cellular functions. Kinases are a large group of drug targets in drug discovery. Kinase inhibitors are an important class of drugs that block certain enzymes involved in diseases such as cancer and inflammatory disorders.

Kinase inhibitor library designed by MCE contains 3,454 kinase inhibitors and regulators mainly targeting protein kinases (VEGFR, EGFR, BTK, CDK, Akt, etc.), lipid kinases (PI3K, PI4K, SK, etc.) and carbohydrate kinases (Hexokinase), and is a useful tool for kinase drug discovery and related research.

Alkaloids are a large and complex group of cyclic compounds that contain N. About 2,000 different alkaloids have been isolated. Important alkaloids include morphine, strychnine, atropine, colchicine, ephedrine, quinine, and nicotine. Alkaloids are useful as diet ingredients, supplements, and pharmaceuticals, in medicine and in other applications in human life. They showed anti-inflammatory, anticancer, analgesics, local anesthetic and pain relief, neuropharmacologic, antimicrobial, antifungal, and many other activities. Alkaloids are also important compounds in organic synthesis for searching new semisynthetic and synthetic compounds with possibly better biological activity than parent compounds.

MCE designs a unique collection of 565 alkaloids that all come from natural products. MCE Alkaloids Library is a useful tool for drug discovery that can be used for high throughput screening (HTS) and high content screening (HCS).

Membrane receptors, also known cell surface receptors or transmembrane receptors, are transmembrane proteins embedded into the plasma membrane which play an essential role in maintaining communication between the internal processes within the cell and various types of extracellular signals. They act in cell signaling by receiving (binding to) extracellular molecules, which are also called ligands. These extracellular molecules include hormones, cytokines, growth factors, neurotransmitters, lipophilic signaling molecules such as prostaglandins, and cell recognition molecules.

There are three kinds of membrane receptors: ion channel-linked receptors, enzyme-linked receptors and G-protein-linked receptors. They play important roles in keeping human normal physiologic processes. GPCRs and ion channels are important drug targets in drug discovery.

MCE provides a unique collection of 6,186 compounds targeting a variety of membrane receptors. MCE Membrane reeptor-targeted Compound Library can be used for membrane receptor-focused screening and drug discovery.

Orthopoxvirus is a genus of viruses in the family Poxviridae and subfamily Chordopoxvirinae. The orthopoxvirus genus consists of 12 viruses including variola virus, vaccinia virus (VV), cowpox viruses (CV), monkeypox virus, and camelpox virus. Smallpox has been eradicated worldwide in 1980, but some other orthopoxvirus, such as monkeypox virus, are still threats to human health.

There are not many drugs available for orthopoxvirus treatment. The only product currently available for treatment of complications of Orthopoxvirus infection is vaccinia immunoglobulin (VIG). In 2021, brincidofovir was approved by FDA for the treatment of smallpox and tecovirimat was approved by EMA for the treatment of monkeypox in 2022. A few active compounds including interferon and interferon inducers, and a variety of nucleosides or nucleotides have been reported to have activity against orthopoxvirus.

MCE carefully prepared a unique collection of 37 compounds reported with the anti- orthopoxvirus activity which can be used for drug screening and other research about orthopoxvirus.

Tibetan medicine, as one of the treasures of traditional Chinese medicine, carries the profound cultural heritage of the Tibetan people and their unique understanding of health. Tibet is the birthplace of Tibetan medicine, and its plateau climate and unique ecological environment have nurtured its rich medicinal resources. Among them, cordyceps, saffron and snow lily are favored by people for their excellent medicinal value and unique growth characteristics. Tibetan medicine, with its profound heritage, plays a crucial role in the management of diseases that are unique to high-altitude regions, such as altitude stress. It facilitates a swifter adaptation to high-altitude conditions and mitigates the symptoms of altitude sickness by meticulously recalibrating the internal environment within the human body. For rheumatic diseases, cardiovascular diseases, etc., Tibetan medicine has also shown its remarkable effect.

MCE included 1,151 natural products from Tibetan medicine, including animal, plant and mineral sources.

Protein tyrosine kinases (PTKs) are key signaling molecules and important drug targets. Two classes of PTKs are present in cells: the transmembrane receptor PTKs (RTKs) and the nonreceptor PTKs. The RTK family includes the receptors for insulin and for many growth factors, such as EGFR, FGFR, PDGFR, VEGFR, and NGFR. RTKs are transmembrane glycoproteins that are activated by the binding of their ligands, and they transduce the extracellular signal to the cytoplasm by phosphorylating tyrosine residues on the receptors themselves (autophosphorylation) and on downstream signaling proteins. Their principal functions of PTKs involve the regulation of multicellular aspects of the organism. Cell to cell signals concerning growth, differentiation, adhesion, motility, and death are frequently transmitted through tyrosine kinases. In humans, tyrosine kinases have been demonstrated to play significant roles in the development of many disease states, including diabetes and cancers.

MCE designs a unique collection of 1,420 compounds that act as a useful tool for PTKs-related drug screening and disease research.

MAPK families play an important role in complex cellular programs like proliferation, differentiation, development, transformation, and apoptosis. In mammalian cells, four MAPK families have been clearly characterized: ERK1/2, C-Jun N-terminal kinse/stress-activated protein kinase (JNK/SAPK) , p38 kinase and ERK5. They respond to different signals. Each MAPK-related cascade consists of three enzymes that are activated in series: a MAPK kinase kinase (MAPKKK), a MAPK kinase (MAPKK) and a MAP kinase (MAPK). MAPK signaling pathways has been implicated in the development of many human diseases including Alzheimer's disease (AD), Parkinson's disease (PD), amyotrophic lateral sclerosis (ALS) and various types of cancers.

MCE designs a unique collection of 851 MAPK signaling pathway inhibitors that act as a useful tool for MAPK-related drug screening and disease research.

In the research of covalent inhibitors targeting serine and threonine, scientists have found that the nucleophilicity of these hydroxyl groups is significantly enhanced due to the influence of their surrounding environment. This results in higher activity during catalytic reactions. Aspirin, which targets the non-catalytic domain serine (Ser529 in human COX1) of cyclooxygenase, exerts its anti-inflammatory effect through covalent binding. β-lactam antibiotics, which targets the catalytic domain serine of penicillin-binding proteins, interferes with bacterial cell wall synthesis.

Through careful selection, we constructed a structural filter containing over 110 electrophilic groups. By analyzing the electrophilic fragments selected by the structural filter, we removed any molecules with trivial or undesirable structural features. Ultimately, we obtained 3,300 fragment molecules which can target serine and threonine residues and can be used for fragment-based covalent drug discovery.

Kidneys are one of the vital organs in the human body. Due to their exposure to higher concentrations of circulating drugs or metabolites, they are highly susceptible to drug-induced renal injury (DIRI). According to statistics, drug-induced kidney injury accounts for approximately 20% of nephrotoxicity reports and can lead to acute kidney injury (AKI), chronic kidney disease (CKD), or even end-stage renal disease (ESRD). Early detection of drug nephrotoxicity is crucial for preventing irreversible kidney damage. Research into its mechanisms can help optimize clinical medication by adjusting dosages or avoiding combinations of nephrotoxic drugs. Additionally, predicting drug-induced nephrotoxicity in early drug development can reduce the risk of late-stage R&D failure.

MCE offers 154 nephrotoxicity compounds that have been clearly reported by the FDA to be associated with kidney injury. This library can be used for studying molecular mechanisms of nephrotoxicity or developing novel biomarkers.

Nucleoside and nucleotide analogues are synthetic, chemically modified compounds that have been developed to mimic their physiological counterparts in order to exploit cellular metabolism and subsequently be incorporated into DNA and RNA to inhibit cellular division and viral replication. In addition to their incorporation into nucleic acids, nucleoside and nucleotide analogues can interact with and inhibit essential enzymes such as human and viral polymerases (that is, DNA-dependent DNA polymerases, RNA-dependent DNA polymerases or RNA-dependent RNA polymerases), kinases, ribonucleotide reductase, DNA methyltransferases, purine and pyrimidine nucleoside phosphorylase and thymidylate synthase. These actions of nucleoside and nucleotide analogues have potential therapeutic benefits — for example, in the inhibition of cancer cell growth, the inhibition of viral replication as well as other indications.

MCE offers a unique collection of 589 nucleotide compounds including nucleotide, nucleoside and their structural analogues. MCE Nucleotide Compound Library is a useful tool to discover anti-cancer and antiviral drugs for high throughput screening (HTS) and high content screening (HCS).

The high rates of morbidity and mortality caused by fungal infections are associated with the current limited antifungal arsenal and the high toxicity of the compounds. Additionally, identifying novel drug targets is challenging because there are many similarities between fungal and human cells. The most common antifungal targets include fungal RNA synthesis and cell wall and membrane components, though new antifungal targets are being investigated. Nonetheless, fungi have developed resistance mechanisms, such as overexpression of efflux pump proteins, overexpression and changes in drug targets and biofilm formation, emphasizing the importance of discovering new antifungal drugs and therapies. Due to the limited antifungal arsenal, researchers have sought to improve treatment via different approaches, such as the combination of antifungal drugs, development of new formulations for antifungal agents and modifications to the chemical structures of traditional antifungals, etc.

MCE offers a unique collection of 458 compounds with validated antifungal activities. MCE antifungal compound library is an effective tool for drug repurposing screening, combination screening and biological investigation.

Endoplasmic reticulum (ER) contributes to the production and folding of approximately one third of cellular proteins, and is thus inextricably linked to the maintenance of cellular homeostasis and the fine balance between health and disease. However, some adverse factors negatively impact ER functions and protein synthesis, resulting in the activation of Endoplasmic reticulum stress (ER stress, ERS) and unfolded protein response (UPR) signaling pathways. The UPR is triggered when ER protein folding capacity is overwhelmed by cellular demand and the UPR initially aims to restore ER homeostasis and normal cellular functions. However, if this fails, then the UPR triggers cell death. Chronic ER stress and defects in UPR signaling are emerging as key contributors to a growing list of human diseases, including diabetes, neurodegeneration and cancer.

MCE Endoplasmic Reticulum Stress Compound Library contains 317 ER stress-related compounds that mainly target PERK, IRE1, ATF6, etc. MCE ER stress library is a useful tool for researching ER stress and related diseases.

The immune system is a host defense system comprising many biological structures and processes within an organism that protects against disease. To function properly, an immune system must detect a wide variety of agents, known as pathogens, from viruses to parasitic worms, and distinguish them from the organism's own healthy tissue. Inflammation is also the body's attempt at self-protection to remove harmful stimuli and begin the healing process. It’s part of the body's immune response. The immune system recognizes damaged cells, irritants, and pathogens, and inflammation begins the healing process. Inflammatory abnormalities are a large group of disorders that underlie a vast variety of human diseases. The immune system is often involved with inflammatory disorders, demonstrated in both allergic reactions and some myopathies, with many immune system disorders resulting in abnormal inflammation.

MCE designs a unique collection of 6,825 compounds that are useful tool for Immunology/Inflammation research or autoimmune inflammatory diseases drug discovery.

The developmental proteins Hedgehog, Notch and Wnt are key regulators of cell fate, proliferation, migration and differentiation in several tissues. Their related signaling pathways are frequently activated in tumors, and particularly in the rare subpopulation of cancer stem cells. The Wnt signaling pathway is a conserved pathway in animals. Deregulated Wnt signaling has catastrophic consequences for the developing embryo and it is now well appreciated that defective Wnt signaling is a causative factor for a number of pleiotropic human pathologies, including cancer. Hedgehog signaling pathway is linked to tumorigenesis and is aberrantly activated in a variety of cancers. The Notch signaling pathway is a highly conserved cell signaling system present in most animals. It plays an important role in cell-cell communication, and further regulates embryonic development.

MCE designs a unique collection of 517 Wnt/Hedgehog/Notch signaling pathway-related small molecules. Wnt/Hedgehog/Notch Compound Library serves as a useful tool for stem cell research and anti-cancer drug screening.

Cytokines are a kind of low molecular soluble proteins synthesized and secreted by immunogen, mitogen or other factors. They have functions of regulating innate and adaptive immune responses, promoting hematopoiesis, stimulating cell activation, proliferation and differentiation. The process of releasing a large number of cytokines is also called “Cytokine storm”, which can cause damage to many tissues and organs in the body. Cytokine is involved in the pathogenesis of many human diseases, including cancer, diabetes, chronic inflammatory diseases and so on. Cytokine inhibitors are a class of essential compounds that act by directly inhibiting the synthesis and release of cytokine or blocking the binding of cytokine to their receptors. Cytokine inhibitors are important compounds for the study of tumor and autoimmune diseases.

MCE designs a unique collection of 1,174 cytokine inhibitors, mainly targeting the receptor interleukin (IL), colony-stimulating factor (CSF), interferon (IFN), tumor necrosis factor (TNF), growth factor (GF) and chemokine, which is an effective tool for development and research of anti-cancer, anti-chronic inflammatory diseases and anti-autoimmune diseases compounds.

Glycolysis is a series of metabolic processes by which one molecule of glucose is catabolized to two molecules of pyruvate with a net gain of two ATP. Glycolysis takes place in 10 steps and catalyzed by a series of enzyme, such as hexokinase, Glucose-6-phosphate isomerase, Phosphofructokinase, etc. Glycolysis is used by all cells in the body for energy generation.

Most cancer cells exhibit increased glycolysis and use this metabolic pathway for generation of ATP as a main source of their energy supply. This phenomenon is known as the Warburg effect and is considered as one of the most fundamental metabolic alterations during malignant transformation. Because increased aerobic glycolysis is commonly seen in a wide spectrum of human cancers, development of novel glycolytic inhibitors as a new class of anticancer agents is likely to have broad therapeutic applications.

MCE provides a unique collection of 1,069 glycolysis compounds that mainly target hexokinase, glucokinase, enolase, pyruvate kinase, PDHK, etc. MCE Glycolysis Compound Library is a useful tool for glucose metabolism research and anti-cancer drug discovery.

Liver cancer is one of the leading malignancies which occupies the second position in cancer deaths worldwide, becoming serious threat to human health. Hepatocellular carcinoma (HCC), also known as hepatoma is the most common type accounting for approximately 90% of all liver cancers.

Current evidence indicates that during hepatocarcinogenesis, two main pathogenic mechanisms prevail: (1) cirrhosis associated with hepatic regeneration after tissue damage caused by hepatitis infection, toxins or metabolic influences, and (2) mutations occurring in single or multiple oncogenes or tumor suppressor genes. Both mechanisms have been linked with alterations in several important cellular signaling pathways. These include the RAF/MEK/ERK pathway, PI3K/AKT/mTOR pathway, WNT/b-catenin pathway, insulin-like growth factor pathway, c-MET/HGFR pathway , etc.

MCE offers a unique collection of 2,503 compounds with identified and potential anti-liver cancer activity. MCE anti-liver cancer compound library is a useful tool for anti-liver cancer drugs screening and other related research.

Biotoxins, also referred to as natural toxins, are chemical substances produced by plants, animals, or microorganisms that exert toxic effects on other living organisms. Due to unique biological activities, biotoxins have been widely applied in molecular biology, physiology, pharmacology, and the clinical diagnosis and treatment of various human diseases, becoming an important source of natural drug development. Biotoxins can specifically bind to and interfere with intracellular signaling molecules or receptors, thereby altering cellular signaling processes. Leveraging this characteristic, biotoxins can be used to study the regulatory mechanisms of cellular signaling pathways. For example, neurotoxins such as snake venom peptides can be used to investigate the functional regulation of neurotransmitter receptors and ion channels. Additionally, biotoxins have demonstrated significant potential in drug development across various fields, including neurological diseases, cardiovascular diseases, anticoagulation, and anti-cancer therapies. With advancements in high throughput screening, structural optimization, and antibody-toxin conjugation technologies, numerous biotoxins or their structural analogs have been successfully brought to market, such as Ziconotide, Captopril, Bivalirudin, and Eptifibatide.

MCE offers 84 types of biotoxins, including neurotoxins, cardiotoxins, mycotoxins, and more.

Chemokines, or chemotactic cytokines, are small cytokines or signaling proteins secreted by cells. They are a component of intercellular communication, controlling the directional movement of immune cells especially leukocytes, as well as other cell types, for instance, endothelial and epithelial cells, which are essential to maintain human health and the function of the immune system.

The biological effects of chemokines are achieved by binding to chemokine receptors, which are G protein-coupled receptors found on the surface of leukocytes. Some chemokine receptors are involved in directing tumor metastasis and over-expression by certain tumors. So inhibiting the interaction between chemokine and chemokine receptors on the surface of tumor cells may be a new possible therapeutic approach. Some chemokine receptors are coreceptors for HIV entry, and related inhibitors have been approved by the FDA to treat patients with HIV. Obviously, chemokines and chemokine receptors have become new targets for studying cancer, HIV, inflammation, and other diseases.

MCE supplies a unique collection of 210 chemokine or chemokine receptor inhibitors and activators, all of which have the identified inhibitory or activated effect on chemokine or chemokine receptors. MCE Chemokine Library is a useful tool for drug research related to cancer, AIDS, and wound therapy.

The Ancient Chinese Classical Formulas, released by the State Administration of Traditional Chinese Medicine, selects the classic prescriptions from more than 100,000 prescriptions contained in more than 100 representative ancient medical books. Experts said that the classic prescription derived from ancient books, with thousands of years of human experience, is widely used in common diseases, frequented diseases, chronic diseases and other fields, and its development and utilization can fill the gap in medical drugs for some diseases in China, and effectively alleviate the increasingly severe medical needs brought by a series of social problems such as aging and chronic diseases in China. MCE has collected and sorted out these monomer compounds from the sources of ancient Chinese classical formulas, including licorice, ginseng, pinellia and other traditional Chinese medicine sources, which help to provide new ideas and new strategies for modern drug development.

MCE ancient Chinese classical formulas traditional Chinese medicine active compound library has 2,040 traditional Chinese medicine monomer compound, which can be used in the research fields of new drug development and drug target identification.

Kinases is a class of enzymes that adds chemicals called phosphates to other molecules, such as sugars or proteins. Protein phosphorylation serves as a critical regulatory mechanism for numerous cellular processes including cell division, metabolism, and signal transduction, with approximately 50% of cellular functions in humans being regulated by kinase activity. In drug discovery, kinases represent a major category of therapeutic targets, and kinase inhibitors constitute an important class of pharmaceuticals that block the activity of specific disease-associated enzymes, particularly in cancer and inflammatory disorders. Small molecule kinase inhibitors represent one of the fastest-growing drug categories, having received U.S. Food and Drug Administration (FDA) approval for both oncological and non-oncological indications. As of September 2023, over 70 FDA-approved small molecule kinase inhibitors are commercially available.

The MCE Kinase Inhibitor Library Mini contains 270 kinase inhibitors primarily targeting protein kinases (VEGFR, EGFR, BTK, CDK, Akt, etc.), lipid kinases (PI3K, PI4K, SK, etc.), and carbohydrate kinases. This collection includes 1-3 highly specific representative compounds per target, optimized for screening of kinase-related drug targets in pharmaceutical research.

The transforming growth factor beta (TGF-β) signaling pathway is involved in many cellular processes in both the adult organism and the developing embryo including cell growth, cell differentiation, apoptosis, cellular homeostasis and other cellular functions. The TGF-β superfamily comprises TGF-βs, bone morphogenetic proteins (BMPs), activins and related proteins. Signaling begins with the binding of a TGF beta superfamily ligand to a TGF beta type II receptor. The type II receptor is a serine/threonine receptor kinase, which catalyzes the phosphorylation of the Type I receptor. The type I receptor then phosphorylates receptor-regulated SMADs (R-SMADs) which can now bind the coSMAD (e.g. SMAD4). R-SMAD/coSMAD complexes accumulate in the nucleus where they act as transcription factors and participate in the regulation of target gene expression. Deregulation of TGF-β signaling contributes to developmental defects and human diseases, including cancers, some bone diseases, chronic kidney disease, etc.

MCE designs a unique collection of 355 TGF-beta/Smad signaling pathway compounds. TGF-beta/Smad Compound Library acts as a useful tool for TGF-beta/Smad-related drug screening and disease research.

The PI3K/Akt/mTOR pathway controls many cellular processes that are important for the formation and progression of cancer, including apoptosis, transcription, translation, metabolism, angiogenesis, and cell cycle progression. Every major node of this signaling network is activated in a wide range of human tumors. Mechanisms for the pathway activation include activation of receptor tyrosine kinases (RTKs) upstream of PI3K, mutation or amplification of PIK3CA encoding p110α catalytic subunit of PI3K, mutation or loss of PTEN tumor suppressor gene, and mutation or amplification of Akt1. Once the pathway is activated, signaling through Akt can stimulate a series of substrates including mTOR which is involved in protein synthesis. Thus, inhibition of this pathway is an attractive concept for cancer prevention and/or therapy. Currently some mTOR inhibitors are approved for several indications, and there are several novel PI3K/Akt/mTOR inhibitors in clinical trials.

MCE owns a unique collection of 885 compounds that can be used for PI3K/Akt/mTOR pathway research. PI3K/Akt/mTOR Compound Library also acts as a useful tool for anti-cancer drug discovery.

Breast cancer is the most frequent cancer among women, impacting 2.1 million women each year, and also causes the greatest number of cancer-related deaths among women. Surgery is usually the first type of treatment for breast cancer, which is usually followed by chemotherapy or radiotherapy or, in some cases, hormone or targeted therapies, especially for metastatic breast cancer (MBC).

Breast cancer is a heterogeneous disease, which is categorized into 3 major subtypes based on the presence or absence of molecular markers for estrogen or progesterone receptors and human epidermal growth factor 2 (ERBB2; formerly HER2): hormone receptor positive/ERBB2 negative (70% of patients), ERBB2 positive (15%-20%), and triple-negative (tumors lacking all 3 standard molecular markers; 15%). Different intrinsic subtypes exhibit different tumor behavior with different prognoses, and may require specific targeted therapies to maximize treatment effectiveness. Otherwise, some signaling pathways also play important roles in the development of breast cancer, such as NF-κB Signaling Pathway, TGF-beta Signaling Pathway, PI3K/AKT/mTOR signaling pathway and Notch Signaling Pathway. These signaling pathways offer ideal targets for development of new targeted therapies for breast cancer.

MCE supplies a unique collection of 2,781 compounds with identified and potential anti-breast cancer activity. MCE Anti-Breast Cancer Compound Library is a useful tool for anti-breast cancer drugs screening.

MCE Exosome Protein Detection Kit (CD63&TSG101) can specifically detect exosome proteins CD63 and TSG101. This product is suitable for the detection of human, rat and mouse exosomes.

MCE Phenyl Agarose (Low Sub) 6FF is a low-substitution hydrophobic chromatography medium formed by covalently coupling phenyl ligands to agarose. It is suitable for laboratory-scale and industrial-scale purification of biomolecules with relatively weak hydrophobicity.

MCE Phenyl Agarose (High Sub) 6FF is a high-substitution hydrophobic chromatography medium formed by covalently coupling phenyl ligands to agarose. It is suitable for laboratory-scale and industrial-scale purification of biomolecules with relatively weak hydrophobicity.

MCE Organoid Cryopreservation Medium (Serum Free) is a ready-to-use cryopreservation medium, widely applicable to organoids and cell lines derived from various mammals (such as human, mouse, pig, cow, etc.).

MCE Protein G Agarose, a 4% highly cross-linked agarose reagent coupled with recombinant Protein G, effectively purifies mammalian monoclonal and polyclonal antibodies, such as human IgG3 and rat IgG2a.

MCE Mouse Intestinal Organoid Kit contains Mouse Intestinal Organoid Basal Medium A, Mouse Intestinal Organoid Supplement B (50×), Mouse Intestinal Organoid Supplement C (250×) and EDTA. This product can be used to efficiently construct mouse intestinal organoid.

MCE Red Blood Cell Lysis Buffer (10×) primarily contains ammonium chloride and is a ready-to-use solution designed for rapid and effective lysis and removal of anucleated red blood cells from human or mouse blood and tissue samples without affecting white blood cells, normal tissues, or tumor cells.

MCE Mouse Liver Ductal Organoid Kit contains Mouse Liver Ductal Organoid (expansion) Basal Medium A, Mouse Liver Ductal Organoid (expansion) Supplement B (50×), Mouse Liver Ductal Organoid (expansion) Supplement C (250×). This product can be used to efficiently construct mouse liver ductal organoid.

MCE Mouse Airway Organoid Kit includes a basic culture medium for Mouse Airway organoids, as well as culture supplements, and is designed for the establishment and long-term maintenance of mouse airway organoids derived from airway stem cells.

MCE Mouse Liver Ductal (Differentiation) Organoid Kit includes a basic culture medium for Mouse Liver Ductal (Differentiation) organoids, as well as culture supplements, and is designed for the establishment and long-term maintenance of mouse liver ductal organoids (mLDs) derived from adult stem cells.

MCE Mouse Neutrophil Negative Selection Kit can isolate neutrophils from single-cell suspensions of mouse bone marrow or other tissue samples.

MCE Mouse CD3⁺ T Cells Negative Selection Kit is designed for the isolation of CD3⁺ T cells from single cell suspensions of mouse spleen cells and lymph nodes.

MCE Mouse CD4⁺ T Cells Negative Selection Kit is designed for the isolation of CD4⁺ T cells from single cell suspensions of mouse spleen cells and lymph nodes.

MCE Mouse CD4⁺ Cells Positive Selection Kit is designed for the isolation of CD4⁺ cells from single cell suspensions of mouse spleen cells, lymph nodes or other tissues.

MCE Mouse CD8⁺ T Cells Negative Selection Kit is designed for the isolation of CD8⁺ T cells from single cell suspensions of mouse spleen cells and lymph nodes.

MCE Mouse CD8⁺ Cells Positive Selection Kit is designed for the isolation of CD8⁺ cells from single cell suspensions of mouse spleen cells, lymph nodes or other tissues.

MCE HOLO Mouse Interferon-γ (IFN-γ) Detection Kit is a homogeneous luminescence-based assay used for the quantitative detection of mouse IFN-γ concentrations in biological samples such as buffer solutions, cell culture supernatants, or serum.

MCE HOLO Mouse Tumor Necrosis Factor-α (TNF-α) Detection Kit is a homogeneous luminescence-based assay used for the quantitative detection of mouse TNF-α concentrations in biological samples such as buffer solutions, cell culture supernatants, or serum.

MCE HOLO Mouse Interleukin-6 (IL-6) Detection Kit is a homogeneous luminescence-based assay used for the quantitative detection of Mouse IL-6 concentrations in biological samples such as buffer solutions, cell culture supernatants, or serum.

MCE HOLO Mouse Interleukin-2 (IL-2) Detection Kit is a homogeneous luminescence-based assay used for the quantitative detection of Mouse IL-2 concentrations in biological samples such as buffer solutions, cell culture supernatants, or serum.

MCE Mouse Colonic Organoid Kit contains Colonic Organoid Basal Medium A, Colonic Organoid Supplement B (50×), Colonic Organoid Supplement C (250×), Colonic Organoid Supplement D (250×) and EDTA. This product can be used to efficiently construct mouse colonic organoid.

MCE Human Colonic Organoid Kit contains Human Colonic Organoid Basal Medium A, Human Colonic Organoid Supplement B (50×), Human Colonic Organoid Supplement C (250×), and Human Colonic Organoid Supplement D (250×). This product can be used to efficiently construct human colonic organoid.

MCE Human Pancreatic Organoid Kit contains Human Pancreatic Organoid Basal Medium A, Human Pancreatic Organoid Supplement B (50×), and Human Pancreatic Organoid Supplement C (250×).This product can be used to efficiently construct human pancreatic organoids.

MCE Human Kidney Tubular Organoid Kit contains Human Kidney Tubular Organoid Basal Medium A, Human Kidney Tubular Organoid Supplement B (50×), Human Kidney Tubular Organoid Supplement C (250×). This product can be used to efficiently construct human kidney tubular organoid.

MCE Human Liver Ductal Organoid Kit contains Human Liver Ductal Organoid Basal Medium A, Human Liver Ductal Organoid Supplement B (50×), Human Liver Ductal Organoid Supplement C (250×). This product can be used to efficiently construct human liver ductal organoid.

MCE Human Airway Organoid Kit includes a basic culture medium for Human Airway organoids, as well as culture supplements, and is designed for the effective construction of human airway organoids (hAOs) from human airway stem cells.

MCE Basement Membrane Matrix for Organoid Culture is primarily composed of natural basement membrane matrix extracted from mouse tumors. This product is mainly used for organoid culture.

MCE Basement Membrane Matrix IPSC-qualified is primarily composed of natural basement membrane matrix extracted from mouse tumors. This product is mainly used for stem cells culture.

MCE Human Endometrium Organoid Kit includes a basic culture medium for human endometrium organoids, as well as culture supplements, and is designed for the effective construction of human endometrium organoids.

MCE Human Esophageal Organoid Kit includes a basic culture medium for human esophageal organoids, as well as culture supplements, and is designed for the establishment and long-term maintenance of human esophageal organoids.