Structures

Resistance refers to the decrease in the effectiveness of drugs in treating diseases or symptoms. Due to the increasing global antibiotic resistance, it may threaten our ability to treat common infectious diseases. Drug resistance is also the main cause of chemotherapy failure in malignant tumors. In approximately 50% of cases, drug resistance exists even before chemotherapy begins. There are many mechanisms of anticancer drug resistance, including increased protein expression that leads to drug removal, mutations in drug binding sites, recovery of tumor protein production, and pre-existing genetic heterogeneity in tumor cell populations. In addition, the issue of drug resistance seems to have affected the development of new anticancer drugs. Drug resistance may be caused by various conditions, such as mutations, epigenetic modifications, and upregulation of drug efflux protein expression. Overcoming multidrug resistance in cancer treatment is becoming increasingly important.

MCE designs a unique collection of 706 anti-drug-resistant compounds. It is a good tool to be used for research on cancer and other diseases.

Radiotherapy is a common treatment for various cancers, and more than 50% of cancer patients require radiotherapy during the disease treatment. With advances in radiation technology and a better understanding of tumor biology, the efficacy of radiation therapy has gradually improved, and more and more patients have benefited from it. However, even with the use of advanced radiotherapy techniques, there are still many malignant tumor cells with low sensitivity to radiation, leading to the radiation effect is not ideal. To solve this problem, radiosensitizers have received more and more attention. Radiosensitizer is a kind of drug that can enhance the radiosensitivity of tumor cells and improve the effect of radiotherapy. Radiation sensitizers act in a variety of ways, such as killing hypoxic cells, enhancing DNA damage, inhibiting DNA damage repair, and blocking cell cycle progression, making tumor cells more susceptible to radiation damage and death than surrounding normal cells.

MCE designs a unique collection of 39 compounds with definite reported radiosensitization. It can be used for drug combination research in anti-cancer treatment.

Dopamine receptor (DAR), widely distributed in the brain, plays a key role in regulating motor function, motivation, driving force and cognition. The role of DA is mediated by D1-type (D1, D5) and D2-type receptors (D2S, D2L, D3, D4), which are distributed in presynaptic, postsynaptic and extrasynaptic, projection neurons and interneurons. Each receptor has a different function. D1 and D5 receptors couple with G stimulation sites and activate Adenylyl cyclase. The activation of Adenylyl cyclase leads to the production of the second messenger cAMP, which leads to the production of protein kinase A (PKA), which leads to further transcription in the nucleus. D2 to D4 receptors are coupled to G inhibitory sites to inhibit adenylyl cyclase and activate potassium Ion channel. These receptors utilize phosphorylation cascades or direct membrane interactions to affect the functions of voltage-gated and neurotransmitter-gated channels, cytoplasmic enzymes, and transcription factors. Dopamine receptor plays an important role in daily life.

MCE designs a unique collection of 282 small molecules related to dopamine receptor. It is a good tool for screening drugs from nervous system disease.

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 257 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.

Mitochondria, as the main place of energy supply in life, is essential to maintain normal life activities. Mitochondrial dysfunction is associated with common diseases, such as cardiovascular diseases, neurodegenerative diseases, diabetes and cancer. The heart, brain and liver rely heavily on mitochondrial function as the main organs for drug metabolism. In addition, mitochondria is also a target of many drugs, some of which induce organotoxicity by inducing mitochondrial toxicity.

MCE contains 545 mitochondrial toxic compounds, which can be used as tool compounds for drug development and disease mechanism research.

New drug development is a time-consuming and high-cost process. Drug repurposing (also called drug repositioning, reprofiling or re‑tasking) offers various advantages over developing an entirely new drug for a given indication. First, the risk of failure is lower. Second, the time frame for drug development can be reduced. Third, less investment is needed. Approved and clinical drugs, especially after phase I drugs, have identified bioactivities, good pharmacokinetic characteristics and safety, which are suitable for drug repurposing.

MCE Drug Repurposing Compound Library plus contains 6,142 approved and passed phase I clinical drugs, which have been completed extensive preclinical and clinical studies and have well-characterized bioactivities, safety and bioavailability properties.

MCE Drug Repurposing Compound Library plus, with more powerful screening capability, further complement MCE Drug Repurposing Compound Library (HY-L035) by adding some compounds with low solubility or stability (Part B) to this library. All those supplementary compounds are supplied in powder form.

New drug development is a time-consuming and high-cost process. Drug repurposing (also called drug repositioning, reprofiling or re‑tasking) offers various advantages over developing an entirely new drug for a given indication. First, the risk of failure is lower. Second, the time frame for drug development can be reduced. Third, less investment is needed. Approved and clinical drugs, especially after phase I drugs, have identified bioactivities, good pharmacokinetic characteristics and safety which are suitable for drug repurposing.

MCE Drug Repurposing Compound Library contains 5,148 approved drugs and passed phase Ⅰclinical drugs, which have been completed extensive preclinical and clinical studies and have well-characterized bioactivities, safety and bioavailability properties.

MCE EMA-Approved Drug Library consists of 728 EMA-approved drugs with high pharmacological diversity. All drugs in this library have been completed extensive preclinical and clinical studies and have well-characterized bioactivities, safety and bioavailability properties. MCE EMA-Approved Drug Library is a useful tool for drug repurposing which could dramatically accelerate drug development.

5-HT receptors, also called Serotonin receptors, are a group of G protein-coupled receptors (GPCRs) and ligand-gated ion channels (LGICs) found in the central and peripheral nervous systems. These receptors are now classified into seven families, 5-HT1–7, comprising a total of 14 structurally and pharmacologically distinct mammalian 5-HT receptor subtypes. The 5-HT receptors influence various biological and neurological processes such as aggression, anxiety, appetite, cognition, learning, memory, mood, nausea, sleep, andthermoregulation. The serotonin receptors are the target of a variety of pharmaceutical drugs, including many antidepressants, antipsychotics, anorectics, antiemetics, gastroprokinetic agents, antimigraine agents, hallucinogens, and entactogens.

MCE 5-HT Receptor Compound Library consists of 430 5-HT receptor inhibitors and activators, which can be used for neuropsychiatric disorders drugs discovery.

Heat-clearing and detoxification is a specific treatment method in the research of traditional Chinese medicine (TCM), which is clinically used to treat infectious diseases with remarkable effect. Over the past decades, the research of heat-clearing and detoxification treatment has been one of the most active fields of combining traditional Chinese and western medicines, and has made remarkable achievements. Nowadays, the application field of heat-clearing and detoxification traditional Chinese medicine is not only limited to antibacterial and antiviral, but also has made progress in the research fields of anti-inflammatory reaction, anti-endotoxin, anti-peroxidative damage, anti-inflammatory cytokines, enhancement of immune function, protection of cellular organelles, and maintenance of calcium homeostasis. In addition to this, clearing heat and removing toxins has also made significant research progress in non-infectious diseases, for example, in tumors, cardiovascular diseases, renal diseases, blood diseases, geriatrics, and diabetes, all of which have shown good curative effect.

MCE can supply 1,282 monomer component from more than a hundred sources of heat-clearing and detoxification TCM, which can be used in TCM studies, drug development and mechanism-based studies.

From target identification to clinical research, traditional drug discovery and development is a time-consuming and costly process, which also bears high risk. Compared with traditional drug discovery, drug repositioning or repurposing, also known as old drugs for new uses can greatly shorten the development cycle and reduce development cost, which has become a new trend of drug development. After undergoing clinical trials, approved drugs have identified bioactivities, good pharmacokinetic characteristics and safety, which can greatly improve the success rate of drug discovery. A number of successes have been achieved, such as metformin for type 2 diabetes and thalidomide for leprosy and multiple myeloma, etc.

MCE provides a unique collection of 1,534 China NMPA (National Medical Products Administration) approved compounds, which have undergone extensive preclinical and clinical studies and have well-characterized bioactivities, safety and bioavailability properties. MCE NMPA-Approved Drug Library is a good tool for drug repurposing which could dramatically accelerate drug development.

Mechanoreceptors convert different stimuli from the outside into electrical signals, enabling us to quickly respond to our environment. Mechanoreceptors are distributed throughout the body, including in the skin, tendons, muscles, joint capsules and viscera. In addition to the channels of TRP and Piezo mentioned in the Nobel Prize, there are also targets such as KCNK, ENaC and ASIC2, which play an important role in the environment perception and homeostasis of living organisms.

MCE offers a unique collection of 391 compounds related to mechanoreceptors, which targeting different mechanoreceptors, such as TRP, Piezo, KCNK, ENaC, etc. MCE mechanoreceptors compound library is a powerful tool for studying mechanoreceptors and life perception.

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 3,003 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.

New drug development is a time-consuming and high-cost process. Drug repurposing (also called drug repositioning, reprofiling or re‑tasking) offers various advantages over developing an entirely new drug for a given indication, such as lower risk and less investment. Clinical drugs have confirmed bioactivities, clear mechanisms and high safety that are suitable for drug repurposing.

MCE owns a unique collection of 2,568 clinical compounds that refer to various research areas including anti-cancer, anti-infection, anti-inflammation, nervous disease. Those compounds are of detailed information on clinical development status, research area, targets, etc.

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 3,066 radioprotectors. Radioprotector Library is an effective tool for acute Radiation Syndrome, drug combination research with radiation drugs.

Medicine Food Homology (MFH) means that some food themselves are medicines and there is no absolute boundary between them. MFH theory combines the function of food and medicine together scientifically and MFH materials can be used both for food and medicine. Besides nutritional value, MFH materials also have the functions in the prevention and treatment of disease and many other healthcare effects. Food as medicines has many benefits because of their safety while taking drugs will bring inevitable side effect to people. In order to ensure the safe use of functional food, National Health Commission of People's Republic of China made specific provisions on MFH items. More than 100 kinds of widely used MFH materials have been released.

Based on MFH items released by National Health Commission, PRC, MCE carefully designs a unique collection of 1,824 Medicine Food Homology Compounds with high safety that can be used for high throughput and high content screening for drug discovery.

Since ancient times, promoting blood circulation for removing blood stasis (PBCRBS) has been one of the most popular research contents in the area of traditional Chinese medicine (TCM) and integrated medicine. Rhizoma, Persicae Semen, Carthami Flos, Curcumae Longae Rhizoma and so on are common TCM with PBCRBS characteristic. Studies have shown that the mechanism of action of PBCRBS TCM is to promote blood circulation (improving cardiovascular and cerebrovascular functions, physical and chemical properties of blood, platelet and coagulation system and other physiological functions) and remove blood stasis (anti-myocardial ischemia, cerebral ischemia, inhibition of platelet aggregation, anti-coagulation, anti-thrombosis, etc.). Not only that, PBCRBS TCM has anti-infection, inhibit inflammation, regulate immune function, inhibit immune response, inhibit abnormal tissue proliferation and other functions. Therefore, PBCRBS TCM has high research value in all- field disease research fields.

MCE can supply 1,006 monomer component from more than a hundred sources of PBCRBS TCM, which can be used in TCM studies, drug development and mechanism-based studies.

Ion channel is a membrane-binding enzyme whose catalytic site is an ion conduction pore, which is opened and closed in response to specific environmental stimuli (voltage, ligand concentration, membrane tension, temperature, etc.). Ion channel provide pores for the passive diffusion of ions on the biofilm. Due to their high selectivity for ion, ion channel are generally classified as sodium (Na⁺ ), potassium (K⁺ ), calcium (Ca²⁺ ), chloride (Cl^- ), and non-specific cation channel. Ion channel is an important contributor to cell signal transduction and homeostasis. In addition to electrical signal transduction, ion channel also have many functions: regulating vascular smooth muscle contraction, maintaining normal cell volume, regulating glandular secretion, protein kinase activation, etc. Therefore, dysfunction of ion channel can lead to many diseases, and its mechanism research is particularly important.

MCE designs a unique collection of 1,751 small molecules related to ion channel, mainly targeting Na⁺ channel, K⁺ channel, Ca²⁺ channel, GABA receptor, iGluR, etc. It is an essential tool for research of cardiovascular diseases, Nervous system diseases and other diseases.

Colorectal cancer (CRC), also known as bowel cancer, colon cancer, or rectal cancer, arises as adenocarcinoma from glandular epithelial cells of the large intestine comprised of the colon and rectum. The majority of cases of CRC are sporadic and result from risk factors, such as a sedentary lifestyle, obesity, processed diets, alcohol consumption and smoking. CRC is also a common preventable cancer.

Studies showed several cellular signaling pathways dysregulated in CRC, leading to the onset of malignant phenotypes. Therefore, it is necessary to analyze the signaling pathways involved in the occurrence and development of colorectal cancer to study the progression and drug treatment of colorectal cancer. Among them, Wnt/β-catenin, p53, TGF-β/SMAD, NF-κB, Notch, VEGF and other target genes and signaling pathways are the focus of research. MCE offers a unique collection of 2,653 compounds with identified and potential anti-colorectal cancer activity. MCE anti-colorectal cancer compound library is a useful tool for anti-colorectal cancer drugs screening and other related research.