LCMS

Natural products are small-molecule compounds produced in nature, derived from animals, plants, and microorganisms, including both primary and secondary metabolites. With their structural diversity and favorable biological activities, natural products have long been an important source for drug discovery. Traditional natural product research has often focused on isolating single active components, whereas metabolomics emphasizes a holistic approach—comprehensively detecting all metabolites in a sample and systematically capturing both known and unknown constituents. Consequently, mass spectrometry‑based metabolomics databases have become a key technological support for screening known components and identifying unknown compounds from natural sources.

MCE Mass Spectrometry Natural Product Library contains 4,293 natural products, covering multiple structural classes, including sugars and glycosides, phenylpropanoids, quinones, flavonoids, terpenoids, etc. All compounds have undergone rigorous quality control by LC/MS and other analytical methods, and can serve as high‑purity reference standards for metabolite identification.

Environmental pollution refers to the process where human activities release harmful chemicals or energy (such as industrial waste, pesticides, and plastic particles) into the natural environment at a rate that exceeds the ecosystem's capacity for self-purification, leading to deterioration in the composition or state of the atmosphere, water bodies, and soil. Environmental pollution is not only a direct threat to biodiversity but also ultimately impacts human health through the bioaccumulation effect of the food chain. Therefore, the accurate identification and dynamic monitoring of pollutants constitute the scientific cornerstone for formulating environmental policies, assessing ecological risks, and promoting green chemistry transformation.

MCE features a collection of 300 environmental pollutants, covering categories such as air pollutants, water pollutants, and pesticides, for research in the field of environmental chemistry.

MCE Classic FDA-Approved Drug Library features a curated selection of marketed drugs that have achieved the highest prescription volumes and greatest clinical impact in global practice since 2006. The collection covers eight major therapeutic areas, including cardiovascular diseases, oncology, metabolic disorders, infectious diseases, central nervous system disorders, respiratory diseases, digestive system diseases, and immunological conditions. All compounds have been validated through long‑term clinical use and possess well‑defined molecular targets, well‑established pharmacokinetic properties, quantifiable efficacy endpoints, and comprehensive toxicological safety profiles.

The library currently contains 169 representative drugs and is designed to serve as an efficient tool for drug repurposing, phenotypic screening, mechanism‑of‑action studies, and combination therapy strategy development.

KRAS (Kirsten Rat Sarcoma Viral Oncogene Homolog) is one of the most important oncogenic driver genes in oncology, with high mutation frequencies in pancreatic cancer, non‑small cell lung cancer, and colorectal cancer. For a long time, KRAS was considered "undruggable" due to the lack of suitable small‑molecule binding pockets on its protein surface. In recent years, with the discovery of the switch‑II pocket and the successful approval of KRAS G12C inhibitors, KRAS‑targeted research has achieved groundbreaking progress, which has also spurred a wave of development targeting non‑G12C mutants such as G12D and G12V, as well as upstream and downstream regulatory factors including SOS1 and SHP2.

MCE KRAS Targeted Compound Library contains 79 small‑molecule compounds targeting the KRAS, serving as high‑quality research tools for mechanistic studies of KRAS‑mutant tumors, combination therapy development, resistance mechanism exploration, and high‑throughput drug screening, thereby providing robust support for KRAS‑targeted drug discovery.

Built on druggable heterocyclic backbones with tunable electrophilic warheads (halogens, cyano groups), our electrophilic heterocyclic fragment library targets non-conserved cysteine/lysine residues and screens covalent ligands through an electrophile-first workflow. It generates high-quality dual-functional fragments for KRAS, BTK and other popular targets, supporting MS and DEL high-throughput screening to accelerate covalent drug lead discovery.

MCE Electrophilic Heterocyclic Fragment Library Built on druggable heterocyclic backbones with tunable electrophilic warheads (halogens, cyano groups), our electrophilic heterocyclic fragment library targets non-conserved cysteine/lysine residues and screens covalent ligands through an electrophile-first workflow. It generates high-quality dual-functional fragments for KRAS, BTK and other popular targets, supporting MS and DEL high-throughput screening to accelerate covalent drug lead discovery.

Cell death is a core biological process that maintains homeostasis in multicellular organisms, playing a dual role in life activities. On one hand, cell death participates in physiological processes such as cell renewal and damage repair through precise regulation; on the other hand, it actively eliminates damaged, infected, or cancerous cells, thereby blocking pathological progression and preserving organism health. Cell death not only ensures the normal development and growth regulation of organisms but is also closely associated with the occurrence and development of various diseases. Numerous studies have shown that specific types of programmed cell death play critical roles in disease progression, providing an important theoretical basis for developing novel therapeutic strategies by regulating cell death pathways.

MCE offers 23 types of commonly used cell death inhibitors, such as apoptosis, ferroptosis, pyroptosis, and cuproptosis, suitable for use as positive controls in the study of novel cell death mechanisms.

Boronic acid and boronic ester represent a relatively novel and promising chemical structure in drug design. Boronic acid exists in an sp²-hybridized state, possessing an empty p-orbital that can act as a Lewis acid to accept lone pairs from heteroatoms (O, N, or S). This Lewis acidity enables it to form reversible covalent bonds with amino acid residues such as lysine, serine, threonine, and histidine. Currently, five FDA-approved drugs containing boronic acid or boronic ester predominantly involve such covalent binding mechanisms in their interactions with target proteins. Furthermore, boronic acid can serve as a bioisostere for carboxylic acids, phosphates, and phenolic groups, utilized to improve pharmacokinetic properties and enhance drug efficacy.

To date, five boron-containing drugs have been approved by the FDA. The unique properties of boronic acids and boronic esters confer significant potential in drug design, with applications spanning cancer therapy (e.g., multiple myeloma), anti-infectives (e.g., fungal infections, tuberculosis), anti-inflammatory treatments (e.g., atopic dermatitis), antibacterial agents (e.g., carbapenem-resistant bacterial infections), and Reactive Oxygen Species (ROS)-responsive prodrugs, among others. The MCE Boronic Acid/Boronic Ester Fragment Library, which contains 1,488 compounds, serves as a valuable tool for the development of boron-containing drugs.