U2OS.eGFP.PEST cells

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.

In modern drug discovery and chemical biology research, the azide group (-N₃) is an important functional moiety that is widely used in click chemistry, biomolecular labeling, drug delivery systems, and prodrug design due to its unique reactivity and bioorthogonality.

The MCE Azide Structural Compound Library contains 100 compounds featuring -N₃ functional groups. It is designed for the construction of click chemistry reaction systems and the subsequent development of functional molecules. This library enables the rapid assembly of targeting ligands, linkers, and functional molecular modules, thereby accelerating PROTAC assembly, optimization of antibody-drug conjugate (ADC) linkers, and the development of biological labeling probes. In addition, the high reaction selectivity and excellent biocompatibility of the azide group allow it to maintain stable reactivity even in complex biological environments, improving controllability and efficiency in drug design. It serves as an indispensable molecular tool in modern medicinal chemistry and chemical biology 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 54 neurotransmitters and is a tool library for drug screening and mechanism research.

Bile acids are a class of amphiphilic molecules derived from the metabolic breakdown of cholesterol, primarily synthesized in the liver, and play a crucial role in the intestines. Based on their structural characteristics, bile acids are mainly divided into two categories: free bile acids (including Cholic acid, Deoxycholic acid, Chenodeoxycholic acid) and conjugated bile acids (including Glycocholic acid, Glycochenodeoxycholic acid, Taurocholic acid, etc.). Bile acids play a significant role in the pathophysiological research of liver and gastrointestinal diseases and are closely associated with the occurrence of metabolic diseases such as obesity, type II diabetes, non-alcoholic fatty liver disease, and atherosclerosis. Bile acids maintain metabolic balance within the body by regulating sugar metabolism, lipid metabolism, and amino acid metabolism, and they influence the activity of metabolism-related enzymes and transporters. In addition, Bile acids can also be used to construct a bile acid metabolism research platform, which helps to delve into the metabolic pathways and dynamic changes of bile acids in living organisms and aids in identifying new biomarkers for certain diseases.

MCE included 62 bile acids, including Cholic acid, Deoxycholic acid, Glycocholic acid, etc., which are effective tools for the study of liver and gallbladder diseases.

Tonifying traditional Chinese medicines occupy a central position in the traditional medical system, with their core value lying in the regulation of the body's functional state. Modern pharmacological studies have confirmed that these medicinal materials and their monomeric components possess multiple biological activities, including bidirectional immune regulation, anti-aging and lifespan extension, neuroprotection and cognitive enhancement, as well as hematopoietic and metabolic regulation. According to the traditional Chinese medicine theory of “strengthening the body’s resistance and consolidating the foundation”, tonifying medicines are mainly classified into four major categories: Qi-tonifying, Blood-tonifying, Yin-tonifying, and Yang-tonifying. This compound library strictly follows this classification system for compound collection.

Monomeric compounds derived from traditional Chinese medicines demonstrate excellent drug-like properties. They naturally possess structural diversity and clearly defined pharmacological activities, which help improve screening success rates and make them ideal tools for studying multi-target synergistic effects. This library contains 1,039 compounds, providing a material basis for investigating synergistic interactions among compounds (network pharmacology) and facilitating the development of multi-target therapeutic strategies for complex diseases such as cancer, neurodegenerative disorders, and metabolic syndrome.

Miao medicine is an important part of Chinese medicine, which carries the profound cultural heritage and rich life wisdom of the Hmongb people. Miao people live in a concentrated community in the mountainous area of the southwest border of China, which has a unique natural environment. Complex and diverse geology, lush natural vegetation, rich animal and plant species, a large number of mineral resources which provide a wide range of species sources for miao ethnicity medicine. On the other hand, due to the characteristics of the living environment of the Hmongb people, Miao medicine has demonstrated its unique therapeutic effect in the treatment of some endemic diseases, infectious diseases, insect, snake and beast bites, rheumatism and other diseases. With the development of modern science and technology, the research and application of seedling medicine are also deepening. Through the systematic study of the chemical composition and pharmacological action of the seedling medicine, it can provide a new idea and method for modern medicine.

MCE included 1,661 natural products from traditional miao ethnicity medicine, including animal, plant and mineral sources.

Coagulation, also known as clotting, is the process in which blood changes from a liquid to a solid gel to form a blood clot. Thrombin, which is accurately and evenly generated in the injured part of blood vessels, is a key effector enzyme of the blood coagulation system and participates in many important biological processes, such as platelet activation, fibrinogen conversion to fibrin network, coagulation feedback amplification, etc. At the same time, to avoid the accidental formation of thrombus in the body, there is also an anticoagulant mechanism that inhibits blood coagulation.

Normal coagulation mechanism represents a balance between the pro-coagulant pathway in the injured site and anti-coagulant pathway beyond it. The blood coagulation system may be out of balance during the perioperative period or critical illness, which may lead to thrombosis or excessive bleeding. Therefore, the physiological study of coagulation balance is an important basis for clinical diagnosis and treatment of the abnormal coagulation process.

MCE supplies a unique collection of 1,525 compounds targeting key proteins in coagulation and anti-coagulation system. MCE Coagulation and Anti-coagulation Compound Library is a useful tool for study the mechanism of coagulation and anticoagulation.

The health benefits deriving from the consumption of certain foods have been common knowledge. All foods are made up of chemical substances. Chemicals in foods are largely harmless and often desirable. At present, numerous researchers have been focused on the beneficial role played by certain food components in the close relationship between food intake and health status. For example, polyphenols, a common class of compounds among foods, are well-known antioxidants, which may play a role in the prevention of several diseases including type 2 diabetes, cardiovascular diseases, and some types of cancer.

MCE supplies a unique collection of 2,064 compounds from variety of foods. All compounds are with specific food source(s). MCE Food-Sourced Compound Library is the useful tool to discover molecules with pharmaceutical activity from foods.

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 1,146 natural products from Tibetan medicine, including animal, plant and mineral sources.

A protease (also called a peptidase, proteinase, or proteolytic enzyme) is an enzyme that catalyzes proteolysis, breaking down proteins into smaller polypeptides or single amino acids, and spurring the formation of new protein products. Proteases play important roles in regulating multiple biological processes in all living organisms, such as regulating the fate, localization, and activity of many proteins, modulating protein-protein interactions, creating new bioactive molecules, contributing to the processing of cellular information, and generating, transducing, and amplifying molecular signals.

Proteases are important targets in drug discovery. Some protease inhibitors are often used as anti-virus drugs and anti-cancer drugs. MCE offers a unique collection of 956 protease inhibitors. MCE Protease Inhibitor Library is critical for drug discovery and development.

Pulmonary fibrosis (PF), also known as diffuse interstitial pulmonary fibrosis, is a very common end-stage manifestation of several diseases, including idiopathic pulmonary fibrosis (IPF), pulmonary hypertension, and scleroderma, characterised by excessive matrix deposition and destruction of the lung architecture, finally leading to respiratory insufficiency. PF has become a global disease with significantly increased incidence rate, and the most common form of pulmonary fibrosis is idiopathic pulmonary fibrosis (IPF).

Lung fibrosis is a complex disease, a multitude of signal factors and signaling pathways is disrupted in this complex disease, such as TGF-β, Wnt, VEGF and PI3K–Akt. MCE offers a unique collection of 2,810 compounds with identified and potential anti-pulmonary fibrosis activity. MCE Anti-Pulmonary Fibrosis Compound Library is a useful tool for anti-pulmonary fibrosis drugs screening and other related research.

Fragment-based drug development (FBDD) is a strategy for drug discovery that can be applied both academically and commercially to enhance the identification of some non-drug targets. Fragment-based drug development has identified low molecular weight molecules (<300 Da) capable of binding to related macromolecules. These fragments can cover a wide chemical space and are easy to optimize later. Currently, several fragment-based drugs have entered clinical trials, of which two drugs, Vemurafenib and Venetoclax, have been approved for marketing.

Based on Tanimoto coefficient, MCE uses similarity algorithm to carefully select 2,196 high-structurally diverse 'RO3' compliant fragment molecules from large-scale fragment molecules, which can be applied to fragment based drug development.

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 930 compounds with identified and potential antihypertensive activity. MCE Antihypertensive Compound Library is critical for antihypertensive drug discovery and development.

Boric acid is a stable and usually non-toxic group widely used in modern synthesis to form C-C and C-heteroatom bonds. Boric acid exhibits exquisite reversible coordination characteristics and can be explored as a molecular construction tool, with specific mechanisms for controlling the structure and biological characteristics of bioconjugates. Boric acid has various activities, such as anticancer, antibacterial, and antiviral activities. In drugs, boric acid mainly exists in the form of arylboronic acid. In addition to this form, heterocycles containing boric acid, such as pyridine, pyrrole, and indole derivatives, are also very useful in pharmaceutical chemistry. Molecular modification by introducing boric acid groups into bioactive molecules has been shown to alter selectivity, physicochemical, and pharmacokinetic characteristics, and improve existing activity.

MCE designs a unique collection of 165 boronic acid compounds. It is a good tool to be used for research on cancer and other diseases.

Cancer is one of the leading causes of mortality amongst world’s population, in which prostate cancer (PCa) is one of the most encountered malignancies among men. Several molecular mechanisms are involved in prostate cancer development and progression. These include common survival factors in prostate cancer (IGF-1), growth factors (TGF-α, EGF), Wnt, Hedgehog, NF-κB, and mTOR and other signaling pathways. These provide potential therapeutic target in prostate cancer treatment.

MCE offers a unique collection of 3,655 compounds with identified and potential anti-prostate cancer activity. MCE Anti-Prostate Cancer Compound Library is a useful tool for anti-prostate cancer drugs screening and other related research.

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 330 mouse metabolites that can be used in disease research.

Small molecule covalent inhibitors, or irreversible inhibitors, are a type of inhibitors that exert their biological functions by irreversibly binding to target through covalent bonds. Compared with non-covalent inhibitors, covalent inhibitors have obvious advantages in bioactivity, such that covalent warheads can target rare residues of a particular target protein, thus leading to the development of highly selective inhibitors and achieving a more complete and continued target occupancy in living systems. In recent years, the distinct strengths of covalent inhibitors in overcoming drug resistance had been recognized. However, toxicity can be a real challenge related to this class of therapeutics due to their potential for off-target reactivity and has led to these drugs being disfavored as a drug class. The drug design and optimization of covalent inhibitors has become a hot spot in drug discovery.

MCE covalent inhibitor library contains 6,121 small molecules including identified covalent inhibitors and other molecules having common covalent reactive groups as warheads, such as acrylamides, activated terminal acetylenes, sulfonyl fluorides/esters, cloracetamides, alkyl halides, epoxides, aziridines, disulfides, etc.

MCE Covalent inhibitor Library plus, with more powerful screening capability, further complement Covalent inhibitor Library (HY-L036) by adding some fragment compounds with covalent warheads.

Potassium channels are the most widely distributed type of ion channel and are found in virtually all living organisms. There are four major classes of K channels: voltage-gated potassium channel, calcium-activated potassium channel, inwardly rectifying potassium channel and tandem pore domain potassium channel. There is growing evidence that dysfunction in potassium channels correlates with several diseases, such as chronic hypertension, diabetes, hypercholesterolemia and atherosclerosis, etc.

MCE Potassium Channel Compound Library consists of 337 potassium channel inhibitor and activators, which is a useful tool to discover drugs for cardiovascular diseases and potassium channel research.

Rare diseases are an important public-health issue and a challenge for the medical community. Most rare diseases are genetic disorders, which are often severely disabling, substantially affect life expectancy, and impair physical and mental abilities. Currently, there are about 7,000 identified rare diseases, together affecting 10% of the population. However, fewer than 6% of all rare diseases have an approved treatment option, highlighting their tremendous unmet needs in drug development. The process of repurposing drugs for new indications, compared with the development of novel orphan drugs, is a time-saving and cost-efficient method resulting in higher success rates, which can therefore drastically reduce the risk of drug development for rare diseases.

MCE carefully collects a unique of 1,900 compounds studied in preclinical, clinical trials or approved used in rare diseases treatment. MCE rare diseases drug library is a useful tool for the research of rare diseases. All compounds can provide corresponding indications for rare diseases.