A549/H2O2 cells

At the forefront of innovative drug discovery, every medicinal chemist faces the challenge of rapidly identifying high-quality hit compounds from vast repositories of chemical resources.

The MCE Natural Product Diversity Scaffold Library is the result of a streamlined optimization process built upon our existing natural product collection. Adhering to the rigorous selection principle of "retaining only one representative compound per BMS scaffold", we have concentrated the diversity of thousands of compounds into a high-value, low-redundancy core set containing 2,256 compounds. All compounds are derived from natural sources, inheriting their inherent advantages of structural complexity and drug-likeness. By eliminating redundancy, the library size is significantly reduced without any compromise to chemical diversity. This approach effectively lowers the cost and time required for primary screening while simplifying downstream data analysis and structure-activity relationship (SAR) studies.

Food additives are substances added to food to maintain or improve its safety, freshness, taste, texture, or appearance. All food additives used in food undergo a safety assessment, which includes rigorous testing, before they are approved, so all food additives are generally recognized as safe substances.

MCE supplies 450 approved food additives which are safe substances and can be used for drug discovery and other research.

Flavor is an expression of smell and taste that is achieved through a variety of chemical processes triggered by molecules. Food flavor is an important attribute of food quality and in some cases determines consumers' food preferences. In addition to playing a key role in taste and smell, flavor molecules can also be involved in regulating metabolism and have an impact on health. In daily life, flavor molecules have absolute application value in food and spices. In scientific research, the study of flavor molecules is helpful to reveal the relationship between food intake and taste perception. Research on the combination behavior of flavor and food components can explore the retention, release and perception of flavor molecules. Most importantly, while exploring multi-sensory flavor perception, the food industry can fully mobilize the enthusiasm of researching new strategies for delicious and healthy food design.

Based on the FlavorDB database, collects and organizes 442 flavor molecules, which can be used in taste perception and other related studies.

Natural product have great diversity and structural complexity of scaffolds. And the number of their drugs represents a large number of sources of new pharmacological entities, so natural products are of great significance in drug discovery. The Dictionary of Natural Products (DNP) shows that natural products mainly come from plants, animals and microorganisms, and animal sources are the second important source of natural products. Animal derived natural products exist to varying degrees in almost all forms of animals, generally secondary metabolite extracted from organisms.

MCE provides a unique collection of 988 animal-sourced natural products. MCE Animal-Sourced Natural Product Library is a useful tool for drug discovery that can be used for high throughput screening (HTS) and high content screening (HCS).

Withdrawal or delisting drugs refer to drugs that are recalled or discontinued from the market due to low efficiency, serious side effects, financial and regulatory problems and other reasons. Once the drug is withdrawn from the market, it will cause heavy losses to the original research company that invested a lot of time, finance and other costs to develop the drug.

Adverse drug reaction (ADR) is the main reason for drug withdrawal from the market. ADR refers to the unexpected effects caused by the reasons such as the target-directed interaction during the treatment. However, studying the mechanism of these ADRs may just be a breakthrough in finding new indications. For example, thalidomide, the protagonist of the drug damage event that caused numerous "seal babies" deformed infants, was found to be due to the degradation of a transcription factor - SALL4 after delisting, which made thalidomide have a new clinical application. In 1998, it was approved by FDA for the treatment of leprosy nodular erythema, and in 2006, it was approved for the treatment of multiple myeloma. ADR study of delisted drugs can not only avoid the loss of drug development in advance but also bring hope to new indications.

MCE has sorted out 232 drug compounds withdrawn from the market through FDA, EMA and other authoritative platforms. Each compound has withdrawal records in at least one country/market. It is a useful tool for conducting research on drug side effects or drug toxicity mechanisms and discovering new indications of drugs.

Dipeptide compounds have attracted extensive attention in drug discovery and life science research due to their simple structures, ease of modification, and favorable biocompatibility. As small peptides composed of two amino acids, dipeptides exhibit diverse biological activities, including anti-inflammatory, antioxidant, antimicrobial, anticancer, and immunomodulatory effects, showing significant application potential in metabolic disorders, neurological diseases, and cancer research. Compared with traditional small molecules, dipeptide compounds possess favorable target-binding properties and high structural plasticity, making them valuable tools for drug screening and mechanism studies.

The MCE Dipeptide Compound Library contains 72 dipeptide compounds and can be applied to peptide drug discovery and development.

Tuberculosis (TB), usually caused by bacteria (Mycobacterium tuberculosis), is an infectious disease that mainly affects the lungs. According to the statistics of the World Health Organization (WHO), 10 million people suffer from tuberculosis every year, and 1.5 million people die of tuberculosis every year, which makes tuberculosis the number one killer of infectious diseases.

Tuberculosis can be cured through the standard 6-month course of treatment of four kinds of antibiotics. Common drugs include rifampicin and isoniazid. In some cases, TB bacteria do not respond to standard drugs, that is, patients with drug-resistant tuberculosis. The treatment of drug-resistant tuberculosis takes longer and is more complex. In the face of the resurgence of tuberculosis in the world and the rapid emergence of multi drug resistant tuberculosis, it is very important to develop new anti-tuberculosis drugs or new clinical treatment schemes for existing anti mycobacterium drugs.

MCE supplies a unique collection of 159 compounds with clear anti-tuberculosis activity. MCE Anti-tuberculosis Compound Library is a useful tool for anti-tuberculosis related research and anti-tuberculosis drug development

According to reports, most known kinase inhibitors exert their effects through competitive binding in highly conserved ATP pockets. Although genetic techniques such as RNA interference can inactivate specific genes, most kinases are multi domain proteins, each of which has an independent function. Highly selective inhibitors have higher efficiency than non-selective inhibitors, and the selectivity to the target is at least 100 times higher. Therefore, ensuring the validation of targets with the most selective inhibitors is crucial for a more thorough understanding of the pharmacology of the kinase field. The Highly Selective Inhibitors Library contains 6,342 compounds, covering multiple targets and subtypes, such as GPCR protein family, Ion channel, multiple kinases, etc. The Highly Selective Inhibitors Library is an effective tool for screening different phenotypes

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.

Increasing research have shown that Traditional Chinese Medicine (TCM) possess antiviral activities against various viral strains, such as herpes simplex virus, influenza virus, hepatitis B and C viruses, and SARS-CoV. To date, dozens of Chinese herbs and hundreds of natural TCM ingredients have been reported to exhibit good antiviral activities. Active components from TCM are one of the important sources for antiviral drugs discovery.

MCE designs a unique collection of 241 active compounds of antiviral Chinese Herbal Medicines. MCE Antiviral Traditional Chinese Medicine Active Compound Library is a useful tool for discovery antiviral drugs from TCM.

Natural products are characterized by enormous scaffold diversity and structural complexity, because of which, natural products do show a wide range of biological activities. Medicinal plants have been the major source of medicines over many centuries. About a quarter of all Food and Drug Administration (FDA) and/or the European Medical Agency (EMA) approved drugs are plant based, with well-known drugs such as Paclitaxel and Aspirin having been isolated from plants.

MCE provides a unique collection of 3,352 plant-sourced natural products. MCE Plant-Sourced Natural Product Library is a useful tool for drug discovery that can be used for high throughput screening (HTS) and high content screening (HCS).

Quinone compounds are a significant class of natural products featuring a conjugated quinone structure, widely distributed in plants, fungi, and microorganisms. Based on their core structures, they can be primarily categorized into benzoquinones, naphthoquinones, phenanthrenequinones, and anthraquinones, among others. This structural diversity endows quinone compounds with a broad spectrum of pharmacological activities, making them key components in traditional Chinese medicine (such as rhubarb, Lithospermum erythrorhizon, and Salvia miltiorrhiza). Modern research has confirmed that their activities encompass anti-tumor, anti-inflammatory, antibacterial, antiviral, antiplatelet aggregation, and neuroprotective effects, among others, establishing them as an important source for drug development.

MCE designs a unique collection of 95 quinones that all come from natural products. MCE Quinones Library is a useful tool for drug discovery that can be used for high throughput screening (HTS) and high content screening (HCS).

Methylation is an epigenetic modification mechanism that involves adding methyl groups to molecules such as DNA and histones, which can alter gene expression without changing the DNA sequence. This process is catalyzed by enzymes such as DNA methyltransferases (DNMTs) and histone methyltransferases (HMTs), and can be reversed by demethylases. The balance of methylation and demethylation is crucial for maintaining cellular function and genomic stability. Abnormal regulation of methylation may lead to a variety of diseases, including cancer, neurological disorders, and developmental abnormalities. A deep understanding of the molecular mechanisms of methylation metabolism is essential for developing therapeutic strategies for diseases associated with methylation dysregulation.

MCE contains 351 compounds targeting methylation/demethylation enzymes, which is of significant value for studying the pathways of methylation metabolism and exploring their mechanisms of action in diseases.

Depression is a serious global affective disorder and one of the most common neurological diseases whose clinical manifestations are low mood, loss of interest, anhedonia, loss of energy, and fatigue, people with major depressive disorder (MDD) can even have suicidal thoughts and behaviors.

Currently available antidepressants have significant limitations, including a long time lag for a therapeutic response (weeks to months) and low response rates. This is particularly problematic for a disease with a high suicide rate. Therefore, the development of new antidepressant drugs is particularly urgent.

MCE offers a unique collection of 3,059 compounds with antidepressant activities or targeting the unique targets of depression. MCE Antidepressant Compound Library is a useful tool for exploring the mechanism of depression and discovering new drugs for depression.

Protein protein interactions (PPI) have pivotal roles in life processes. The studies showed that aberrant PPI are associated with various diseases, including cancer, infectious diseases, and neurodegenerative diseases. The classic drug targets are usually enzymes, ion channels, or receptors, the PPI indicate new potential therapeutic targets. Therefore, targeting PPI is a new direction in treating diseases and an essential strategy for the development of new drugs.

However, the design of modulators targeting PPI still faces tremendous challenges, such the difficult PPI interfaces for the drug design, lack of ligands reference, lack of guidance rules for the PPI modulators development and high-resolution PPI proteins structures.

With the development of high-throughput technology, high-throughput screening is also gradually used for the identification of PPI inhibitors, but the compound library used for conventional target screening is not very effective in screening PPI inhibitors. To improve screening efficiency, MCE carefully selected 826 PPI inhibitors and mainly targeting MDM2-p53, Keap1-Nrf2, PD-1/PD-L1, Myc-Max, etc. MCE Protein-protein Interaction Inhibitor Library is a useful tool for PPI drug discovery and related research.

The RNA-targeted bioactive compound library is a high-quality collection of small molecules specifically designed and curated to target RNA structures and functions. It is widely applied in cutting-edge drug discovery and life science research. Unlike traditional strategies that focus on protein targets, RNA-targeted compounds can directly modulate various functional RNA molecules by influencing their splicing, translation, stability, or structural conformation, thereby enabling precise intervention in key biological processes. In the field of drug development, these compounds provide a novel approach to addressing previously “undruggable” targets and have demonstrated significant potential in areas such as oncology, antiviral therapies, and neurodegenerative diseases. For example, by targeting disease-associated RNA structural domains or regulating the aberrant expression of non-coding RNAs, these compounds can effectively inhibit disease progression or restore normal cellular function. In mechanistic studies, RNA-targeted compounds serve as valuable chemical biology tools to elucidate the roles of RNA in gene expression regulation, cellular signaling pathways, and disease development.

The MCE RNA-targeted bioactive compound library contains 858 compounds, sourced from databases such as TargetRX Atlas and R-BIND. The library features excellent structural diversity and biological activity, making it suitable for high-throughput screening (HTS), target validation, phenotypic screening, and lead compound discovery. It represents a valuable resource for RNA-related research and innovative drug development.

Pesticide is a single substance or mixture that can be used to prevent, mitigate, iminate pests or as a plant conditioner, defoliant or desiccant. In recent years, scientists have proposed the concept of "Molecules to Ecosystems", bringing the concept of molecular biology to understand the impact of pesticides, degradation and relationship with the environment or organisms. MCE integrates effective compounds approved as pesticides by agencies such as the Environmental Protection Agency (EPA), China Pesticide Information Network and some insecticidal compounds with potential for agricultural applications.

MCE can provide a library of 531 pesticide compounds that are tool compounds for relevant research.

Vitamins are a category of trace organic compounds essential for maintaining normal physiological functions in living organisms. They are classified into fat-soluble and water-soluble vitamins. Fat-soluble vitamins play a role in maintaining vision, bone health, reproductive functions, and blood coagulation. Water-soluble vitamins are involved in energy metabolism, nervous system function, and cellular repair processes. Most vitamins cannot be synthesized by the organism and must be obtained through diet. In recent years, vitamins and their derivatives have become increasingly important in the field of drug development due to their extensive physiological activities. Additionally, vitamins and their derivatives can be used to construct research platforms for vitamin metabolism, which helps to delve into the metabolic pathways and dynamic changes of vitamins within the body and aids in identifying new biomarkers for certain diseases.

MCE included 136 vitamins and their derivatives, including Vitamin A, Vitamin B, Vitamin D, etc., which is a good tool for studying vitamin metabolism.

Bacteria-derived natural products have long been recognized as an important resource for innovative drug discovery due to their remarkable structural diversity and broad spectrum of biological activities. Microorganisms such as actinomycetes, Bacillus species, and marine bacteria can produce a wide range of small molecules with unique chemical scaffolds, showing extensive application potential in anti-infective, anticancer, immunomodulatory, and metabolic disease research. Many classic drugs, including Streptomycin, Tetracycline, and Doxorubicin, are derived from bacteria-related natural products.

Pain is a kind of distressing feeling caused by the stimulation of tissue damage. According to the International Association for the Study of Pain (IASP), pain is defined as ”An unpleasant sensory and emotional experience associated with actual or potential tissue damage, or described in terms of such damage”.

Pain is usually classified according to its location, duration, underlying causes, and intensity. For example, acute and chronic pain, muscle pain, and nerve pain. Pain is the main symptom of most diseases, which seriously affects the quality of life and body function of patients. In the medical treatment of pain, anti-inflammatory drugs and opioid analgesic agents have traditionally been used, but the side effects are serious. In recent years, targeted drugs targeting the ERK/MAPK pathway or other targets have gradually become a research hotspot.

MCE supplies a unique collection of 3,530 compounds targeting key proteins in the pain system. MCE Pain-Related Compound Library is a useful tool for pain related research and anti-pain drug development.