OVA-specific CD4 T cell

Antitussive and antiasthmatic method is a type of treatment strategy in traditional Chinese medicine, mainly used to alleviate symptoms such as coughing and asthma. These symptoms may be caused by various factors, such as: Bronchial asthma, chronic obstructive pulmonary disease, asthmatic bronchitis, cough-induced asthma, and others. Based on existing research in traditional Chinese medicine, many types of Chinese medicinal herbs showed antitussive and antiasthmatic effects. For example: Ardisiae Japonicae Herba, Ginkgo Semen, Amygdalus Communis Vas, Farfarae Flos, Viticis Cannabifoliae Fructus, Eriobotryae Folium etc. Therefore, the active ingredients derived from these traditional Chinese medicine have high medicinal value and have the potential to be developed into drugs for related diseases.

MCE can provide 861 active ingredients that can be obtained from traditional Chinese medicine with antitussive and antiasthmatic functions, which can be applied to drug development and research on disease mechanisms.

Linkers play a necessary role in the physicochemical properties and biological activity of the bifunctional molecule. These linkers are not a simply connection of two functional modules together, but its design and nature directly affect the stability, activity, selectivity, pharmacokinetics, and ultimately the therapeutic efficacy of the entire molecule. The length of the linker determines the extent of interaction between the two ligands and thus the maximum activity of the PROTAC molecule.

MCE has collected 1,213 PROTAC Linkers can be used for the design and synthesis of bifunctional molecules.

Diarrhea is a disease symptom, and the pathophysiologic basis of diarrhea is a disturbance in intestinal water and electrolyte balance, which may be due to increased secretion of osmotically active electrolytes (secretory diarrhea) or increased intake of osmotically active substances (osmotic diarrhea). Food poisoning, pathogenic bacterial infections, and intestinal-related diseases can all contribute to the development of diarrhea. Traditional Chinese Medicine (TCM) considers diarrhea to be a symptom of an imbalance in the body's systems, particularly related to the functions of the spleen and stomach. Spleen qi deficiency, dampness-heat, liver and spleen disharmony are closely related to diarrhea. Many types of Chinese herbs regulate the function of diarrhea, such as: Dysosmae Verspiellis Rhixoma Et Radix, Ginkgo Semen, Forsythiae Fructus, and Campsis Flos.

MCE can provide 2,478 active monomers that can be obtained from TCM herbs with diarrhea-regulating functions, which can be applied to drug development and disease mechanism 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 91 types of biotoxins, including neurotoxins, cardiotoxins, mycotoxins, and more.

Plant hormones are natural signaling molecules synthesized by plants themselves, serving as crucial chemical messengers that exert physiological effects on plants at extremely low concentrations. They coordinate cellular growth, division, differentiation, and organ formation, helping plants adapt to environmental changes. Major categories include abscisic acid, auxins, gibberellins, cytokinins, ethylene, and brassinosteroids, among others.

MCE has included 44 plant hormones, which can be used for identification in plant metabolomics and related botanical research.

Ionizable lipids are a class of specialized, functional lipid molecules with pH-sensitive charge characteristics. They are primarily divided into two major categories: ionizable cationic lipids and ionizable anionic lipids, though the term typically specifies ionizable cationic lipids within the biomedical field. Structurally, these lipids consist of an ionizable hydrophilic headgroup, a biodegradable linker, and hydrophobic tails. Their primary application is serving as the key delivery vehicle in lipid nanoparticles (LNPs) to encapsulate negatively charged nucleic acid macromolecules, such as mRNA vaccines, siRNA therapeutics, and CRISPR gene-editing components. In a physiological, neutral environment, they remain electrically neutral to minimize systemic toxicity and prolong circulation time. Upon entering the acidic microenvironment of cellular endosomes, however, they undergo protonation to become positively charged, thereby inducing membrane fusion and enabling the highly efficient intracellular release of the nucleic acid cargo. Consequently, they serve as the technological cornerstone for bringing nucleic acid therapies into clinical application.

To accelerate the translational process of cutting-edge nucleic acid drugs, MCE has meticulously constructed an ionizable lipid compound library containing 93 high-performance molecules, aiming to provide researchers and pharmaceutical professionals with a high-throughput, multi-dimensional lipid screening platform.

Flavors and fragrances serve as indispensable enhancing elements in modern industries, playing multidimensional roles in the fields of food, cosmetics, and pharmaceutical development. In the food industry, flavors and fragrances are not only used to compensate for flavor loss during processing but also to create novel sensory experiences and enhance product appeal. Natural flavors such as vanilla and citrus oils impart rich, layered aromas to foods, while synthetic flavors can precisely replicate specific tastes, meeting the demands of standardized production and extending the flavor stability of food products. In the cosmetics sector, flavors and fragrances are key to emotional design. They enhance product recognition and elevate the pleasure of use through pleasant scents. In pharmaceutical development, the application of flavors and fragrances focuses on improving compliance. Especially in formulations such as oral liquids and chewable tablets, the addition of mint, fruit, and other flavoring components effectively masks the bitter or irritating taste of medications, increasing patient acceptance. Additionally, some natural flavors may themselves possess auxiliary therapeutic benefits.

MCE contains 495 kinds of flavors and fragrances, which can be used in fields such as food, cosmetics and drug development.

Animal drug (also veterinary drug) refers to a drug intended for use in the diagnosis, cure, mitigation, treatment, or prevention of disease in animals. Animal Drugs @ FDA is a searchable online database that includes most FDA-approved and conditionally approved animal drugs. The major classes of veterinary drugs include antibiotics, anthelmintics, coccidiostats, nonsteroidal anti-inflammatory drugs, sedatives, corticosteroids, beta-agonists, and anabolic hormones.

MCE has collected 166 FDA-approved veterinary drug compounds for use in scientific research.

Cyclic peptides are polypeptide chains taking cyclic ring structure, which exhibit diverse biological activities, such as antibacterial activity, immunosuppressive activity and anti-tumor activity. Cyclic peptides, with the features of good binding affinity, target selectivity and low toxicity, show great success as therapeutics. Multiple cyclic peptides are currently in clinical use, for examples, gramicidin and tyrocidine with bactericidal activity, cyclosporin A with immunosuppressive activity, and vancomycin with antibacterial activity. Furthermore, cyclic peptides usually have the sufficient size and a balanced conformational flexibility/rigidity for binding to flat protein-protein interaction (PPI) interfaces, which have potential to develop PPI drugs.

MCE offers a unique collection of 100 cyclic peptides, all of which have good bioactivities. MCE Cyclic Peptide Library is a powerful tool for drug discovery and PPI inhibitor screening.

Chinese Baijiu is one of the oldest alcoholic beverages in the world, with a history of over 2,000 years. It can be classified into 12 aroma types based on its fragrance and flavor characteristics. The specific flavor profile of Baijiu is determined by the composition and concentration of certain compounds. These trace compounds, present in low concentrations yet rich in esters, alcohols, acids, lactones, aldehydes, ketones, acetals, alkenes, and others, significantly influence the flavor of Baijiu. Additionally, some active components in Baijiu possess antioxidant properties, and moderate consumption may help reduce the risk of cardiovascular diseases, dementia, and insulin resistance. Therefore, studying the chemical composition of Baijiu is crucial for promoting its fermentation process and enhancing its flavor and quality.

MCE has compiled included 674 Chinese Baijiu components, which can be used for drug development, Baijiu fermentation, and research related to Baijiu flavor and aroma.

Protein lactylation, an emerging post-translational modification identified in recent years, plays a critical role in linking cellular metabolic reprogramming, epigenetic regulation, and signaling networks. Based on a systematic framework encompassing lactate metabolism, lactylation, and downstream signaling pathways, this compound library comprehensively targets multiple regulatory layers, including histone modification enzymes (such as p300 and HDACs), key glycolytic enzymes (such as PKM2, LDHA, and GAPDH), transcriptional regulators (such as STAT3, HMGB1, and p53), as well as central signaling pathway nodes including HIF-1α, NF-κB, and PI3K-AKT-mTOR. This integrated design enables a comprehensive representation of the regulatory roles of lactylation across the “metabolism–epigenetics–signaling” axis.

MCE has assembled a collection of 6,182 known bioactive compounds and potential functional molecules, making this library suitable for a wide range of applications, including high-throughput drug screening, inhibitor identification, and mechanistic studies. It can be used to systematically evaluate the functional roles of lactylation in biological processes such as tumor metabolism, immune regulation, and inflammatory responses, and to efficiently identify small-molecule candidates with regulatory potential, thereby facilitating the development of innovative therapeutics targeting the interplay between metabolism and epigenetic regulation.

Animal disease models are used in a variety of settings in basic research, such as studies on mechanisms of disease progression and evaluation new drugs. Animal models can be broadly classified into five categories: 1) experimental, 2) spontaneous, 3) negative, 4) orphan, 5) genetically engineered. Experimental models, which are induced artificially in the laboratory, are most common. Some small molecular compounds are usually used as inducers for animal models, such as Ceruletide for inflammatory model, Azoxymethane for tumor model. These inducers are useful tool in building animal models.

MCE offers a unique collection of 52 animal model inducers, involving inflammatory model, tumor model, nervous disease model, etc. MCE Animal Disease Model library is a powerful tool for the establishment of animal disease models.

Peptides are a group of biologically active substances that are involved in various cellular functions of organisms. Peptides are often used in functional analysis, vaccine research and especially in the field of drug research and development. At present, more than 80 peptide drugs have reached the market for a wide range of diseases, including diabetes, cancer, osteoporosis, multiple sclerosis, HIV infection and chronic pain.

MedChemExpress (MCE) offers a comprehensive collection of 2,647 peptides, including bioactive peptides, amino acid derivatives, and blocking peptides. MCE Peptide Library can be used for peptide library screening, peptide drug discovery, vaccine development, target verification, structural activity research, etc.

A drug metabolite is a byproduct of the body breaking down, or “metabolizing” a drug into a different substance. Most drugs undergo chemical alteration by various bodily systems as a way to create compounds that are more easily excreted from the body. Drugs can be metabolized by oxidation, reduction, hydrolysis, hydration, conjugation, condensation, or isomerization. Drug metabolism can produce metabolites with physicochemical and pharmacological properties that differ substantially from those of the parent drug, and consequently have important implications for both drug safety and efficacy.

MCE offers a unique collection of 440 drug metabolites which is a useful tool for drug safety and efficacy study and drug repurposing.

The lack of availability of appropriate medicines for children is an extensive and urgent problem. A variety of obstacles hinder children's drug development, including the limited commercial interest, lack of suitable infrastructure and competence for conducting paediatric clinical trials, difficulties in trial design, ethical worries and many others. Because of these factors, unlicensed and off-label prescribing is very common in children which may lead to safety concern.

MCE offers a unique collection of 712 Pediatric medicines, all of which have been approved or studied in clinical trials for children diseases. MCE children’s drug library is a useful tool for drug repurposing to discover new children’s indications.

In modern medicinal chemistry and chemical biology research, alkyne (-C≡C-) structures play an important role in click chemistry, bioorthogonal labeling, and the construction of functional molecules due to their unique linear geometry and high reactivity. In particular, driven by the development of copper-catalyzed azide-alkyne cycloaddition (CuAAC) and copper-free click reactions (SPAAC), terminal alkyne groups have become important “chemical handles” for building complex biomolecular systems.

The MCE Alkyne Compound Library contains 437 compounds designed for the construction of click chemistry reaction systems and the development of diverse functional molecules. In drug discovery, these structures serve as key reactive sites that can efficiently undergo click reactions with azide groups, enabling modular assembly of PROTAC molecules, construction of ADC linkers, and rapid synthesis of bioorthogonal labeling probes. In addition, alkyne groups exhibit high stability, mild reaction conditions, and excellent biocompatibility, allowing them to maintain reactivity in complex biological environments. This contributes to improved efficiency and controllability in drug development, making them indispensable chemical building blocks in modern drug design and functional molecular engineering.

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).