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Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!2025-02-06
388 Results for "
Structure activity
" in MedChemExpress (MCE) Product Catalog:
Products (388)
388 Results for "Structure activity" in MCE Product Catalog:
Cat. No.: HY-N18905
CAS No.: 161713-86-6
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Target:
Cat. No.: HY-W004812
CAS No.: 161660-94-2
Synonyms: (1S,3S)-3-[(tert-Butoxycarbonyl)amino]cyclopentanecarboxylic acid
Target:
Research Areas:
BOC-(1R,3S)-3-aminocyclopentane carboxylic acid ((1S,3S)-3-[(tert-Butoxycarbonyl)amino]cyclopentanecarboxylic acid) is a conformationally constrained peptide building block and a key component of SARS-CoV-2 main protease (Mpro) inhibitors. When incorporated into macrocyclic peptides, BOC-(1R,3S)-3-aminocyclopentane carboxylic acid not only helps generate high-affinity Mpro inhibitors by preorganizing the secondary structure of peptides, but also exerts sequence-dependent functional inhibition on the hydrolytic activity of Mpro. BOC-(1R,3S)-3-aminocyclopentane carboxylic is widely used in COVID-19-related research .
Cat. No.: HY-L0121V
10,000 compounds
Natural products are an attractive source with varied structures that exhibit potent biological activities, and desirable pharmacological profiles. The core scaffold of a natural product can also provide a biologically validated framework upon which to display diverse functional groups. Inspired by bioactive natural products, natural product-like compounds, occupying the same chemical space, are ideally suited to explore and to facilitate understanding of biological pathways.
MCE 10K Natural Product-like Compound Library consists of 10,000 natural product-like compounds. Each compound has scaffold of natural products or Tanimoto coefficient >0.6 with natural products. The natural-likeness scoring of these compounds is >-2. What’s more, compounds in the library are drug-like and readily available for re-supply, making it a powerful tool for new drug research and development. It can be widely applied in high-throughput screening (HTS) and high-content screening (HCS).
Cat. No.: HY-L245
2,256 compounds
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.
Cat. No.: HY-L905
4,813 compounds
Natural products are an attractive source with varied structures that exhibit potent biological activities, and desirable pharmacological profiles. The core scaffold of a natural product can also provide a biologically validated framework upon which to display diverse functional groups. Inspired by bioactive natural products, natural product-like compounds, occupying the same chemical space, are ideally suited to explore and to facilitate understanding of biological pathways.
MCE 5K Natural Product-like Compound Library consists of 4,813 natural product-like compounds. Each compound has scaffold of natural products or Tanimoto coefficient >0.6 with natural products. The natural-likeness scoring of these compounds is >-2. What’s more, compounds in the library are drug-like and readily available for re-supply, making it a powerful tool for new drug research and development. It can be widely applied in high-throughput screening (HTS) and high-content screening (HCS).
Cat. No.: HY-L068
583 compounds
Flavonoids are an important class of natural products; particularly, they belong to a class of plant secondary metabolites having a polyphenolic structure, widely found in fruits, vegetables and certain beverages. Flavonoids can be subdivided into different subgroups depending on the carbon of the C ring on which the B ring is attached and the degree of unsaturation and oxidation of the C ring. These subgroups are: flavones, flavonols, flavanones, flavanonols, flavanols or catechins, anthocyanins and chalcones. Flavonoids are now considered as an indispensable component in a variety of nutraceutical, pharmaceutical, medicinal and cosmetic applications. This is attributed to their anti-oxidative, anti-inflammatory, anti-mutagenic and anti-carcinogenic properties coupled with their capacity to modulate key cellular enzyme function. Naturally occurring flavonoids are known to have biological activities for use as drugs, for example, in diseases like cancer, Alzheimer’s disease (AD), atherosclerosis, etc.
MCE offers a unique collection of 583 natural flavonoid compounds which is a useful tool for drug discovery as an important source of lead compounds.
Cat. No.: HY-173309
Research Areas:
P53/TLR2 modulator-1 (Compound Z9) is a modulator that targets both the P53 pathway and TLR2 simultaneously, exhibiting anti-radiation activity. P53/TLR2 modulator-1 reduces apoptosis by inhibiting the radiation-induced expression of P53 and Bax. At the same time, it activates the TLR2 pathway, upregulates the expression of downstream proteins MyD88 and P65, and promotes the secretion of cytokines such as IL-6, thus exerting an anti-radiation effect. P53/TLR2 modulator-1 shows significant anti-radiation activity against both AHH-1 cells and HUVECs. It can also increase the survival rate of C57BL/6J mice irradiated with a lethal dose of radiation and reduce the damage to their hematopoietic system, the villous structure of the small intestine, and the spleen caused by radiation. P53/TLR2 modulator-1 can be used in the research of radiation injury-related diseases .
Cat. No.: HY-112624J
CAS No.: 9004-54-0
Synonyms: Dextran 4; Dextran D4; Dextran T4(MW 3200-4800)
Cat. No.: HY-128483R
CAS No.: 536-69-6
Category:
306-N16B is a selective lung-targeted lipid nanoparticle that reversibly targets lung endothelial cells and specific immune cells through selective adsorption of a protein corona mediated by differences in tail structure (such as fibrinogen β/γ chain). 306-N16B binds to specific plasma proteins in the blood to form a protein corona, which guides the particles to be enriched in the lungs, releases mRNA and promotes target cell gene expression, exerts efficient lung cell transfection activity, and can precisely regulate gene delivery of different cell types in the lungs (such as endothelial cells and macrophages). 306-N16B can be used in gene therapy technologies for hereditary lung diseases including pulmonary lymphangioleiomyomatosis (LAM), restoring tumor suppressor function by delivering Tsc2 mRNA, and can also be used for lung-specific mRNA vaccines and gene editing therapies .
Cat. No.: HY-175068
Synonyms: Ins(1,3,4,5,6)P5 sodium
Research Areas:
D-myo-Inositol-1,3,4,5,6-pentaphosphate sodium (Ins(1,3,4,5,6)P5 sodium) is a small intracellular signaling molecule. D-myo-Inositol-1,3,4,5,6-pentaphosphate sodium inhibits the PI3K/Akt signaling pathway. D-myo-Inositol-1,3,4,5,6-pentaphosphate sodium inhibits Akt/PKB phosphorylation and kinase activity, inducing apoptosis in cancer cells. D-myo-Inositol-1,3,4,5,6-pentaphosphate sodium inhibits the formation of tubular structures in endothelial cells in an in vitro angiogenesis mouse model. D-myo-Inositol-1,3,4,5,6-pentaphosphate sodium can be used in research on ovarian cancer, lung cancer, breast cancer, and other cancers, as well as in cardiovascular and cerebrovascular diseases such as angiogenesis .
Cat. No.: HY-D3148
CAS No.: 1804107-88-7
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TPE-Ph-In is a mitochondria-targeted voltage-sensitive probe that can be used for mitochondrial membrane potential detection, mitochondrial imaging of animal and plant cells and tissues, mouse sperm activity indication, and detection of mitochondrial membrane potential changes associated with early apoptosis. TPE-Ph-In is non-fluorescent in solution, but emits strong fluorescence when aggregated via restriction of intramolecular rotation/movement, and its fluorescence intensity is directly correlated with local probe concentration or mitochondrial membrane potential level. TPE-Ph-In can penetrate cell membranes, target mitochondria through charge-dependent accumulation, has low cytotoxicity and high photostability, and enables super-resolution imaging of plant mitochondrial fission, fusion and cristae structures. The excitation wavelengths of TPE-Ph-In include 450 nm, 488 nm, and 489 nm, while its emission wavelengths include 551-661 nm, 660 nm, and 694 nm. TPE-Ph-In can be used for studies on mitochondrial dysfunction associated with early apoptosis .
Cat. No.: HY-N7101S
Synonyms: U-76-d7,252-d7; CS-807-d7
Cat. No.: HY-W006886
CAS No.: 945212-26-0
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Cat. No.: HY-L048
585 compounds
The high rates of morbidity and mortality caused by fungal infections are associated with the current limited antifungal arsenal and the high toxicity of the compounds. Additionally, identifying novel drug targets is challenging because there are many similarities between fungal and human cells. The most common antifungal targets include fungal RNA synthesis and cell wall and membrane components, though new antifungal targets are being investigated. Nonetheless, fungi have developed resistance mechanisms, such as overexpression of efflux pump proteins, overexpression and changes in drug targets and biofilm formation, emphasizing the importance of discovering new antifungal drugs and therapies. Due to the limited antifungal arsenal, researchers have sought to improve treatment via different approaches, such as the combination of antifungal drugs, development of new formulations for antifungal agents and modifications to the chemical structures of traditional antifungals, etc.
MCE offers a unique collection of 585 compounds with validated antifungal activities. MCE antifungal compound library is an effective tool for drug repurposing screening, combination screening and biological investigation.
Cat. No.: HY-L948
11,491 compounds
PD-1/PD-L1 are key immune checkpoint targets that suppress T-cell-mediated anti-tumor immunity, representing a major focus in cancer immunotherapy. While antibody drugs dominate the clinic, they are limited by administration challenges and immune-related side effects. Small-molecule PD-1/PD-L1 inhibitors, with oral availability, good tissue penetration and low cost, have emerged as a promising next-generation strategy.
A PD-1/PD-L1 lead-like library was built via a five-step virtual screening process. After collecting 8,947 inhibitors from BindingDB and PubChem and filtering by activity and duplicates, AI similarity screening was performed using GeminiMol. Key pharmacophores were extracted from the PPI interface of co-crystal structures, and molecular was screened via a pharmacophore model, effectively enhancing target activity.
Containing 10,000 structurally diverse and drug-like molecules well-matched to the PD-L1 pocket, the library supports virtual docking, high-throughput screening and hit discovery, enabling efficient and rapid development of small-molecule immunotherapies.
Cat. No.: HY-153552
CAS No.: 2758337-19-6
NH2-UAMC1110 is an aminobutoxy derivative of the fibroblast activation protein (FAP) inhibitor UAMC1110 (HY-100684), and is a precursor compound for the synthesis of FAP inhibitor probes, not directly used in bioactivity experiments. For example, NH2-UAMC1110 is involved in the synthesis of the radiotracer FAPI-QS, which exhibits high tumor selectivity and high dose-response, and has been used for tumor diagnosis. NH2-UAMC1110 introduces an active amino group into its structure, enabling it to form covalent bonds with various molecules (such as DOTA, DATA5m, radionuclide chelators, etc.), thereby synthesizing molecular imaging probes or targeted compounds with the ability to target FAP. NH2-UAMC1110 specifically binds to the FAP active site, inhibiting its proline-selective serine protease activity (including dipeptidyl peptidase and endopeptidase activity), blocking FAP-mediated tissue remodeling processes. Its key activity is high targeting and high affinity, and its core function is to be coupled with bifunctional chelators (such as DOTA, DATA5m) as a targeting module. NH2-UAMC1110 can be applied to diagnostic imaging studies of tumors expressing FAP (such as colorectal cancer, pancreatic cancer, etc.), and also provides molecular tools for targeted research of FAP-related diseases with high FAP expression, such as fibrosis and arthritis .
Cat. No.: HY-162834
CAS No.: 2375564-54-6
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Research Areas:
PROTAC SMARCA2/4 degrader-27 is a VHL-recruiting PROTAC degrader targeting SMARCA2 and SMARCA4, derived from structure-guided modification of PROTAC SMARCA2/4 degrader-28 (HY-162835). PROTAC SMARCA2/4-degrader-27 forms a cooperative ternary complex with CRL2VHL E3 ligase to induce ubiquitination and degradation. PROTAC SMARCA2/4-degrader-27 induces a novel protein-protein interaction between VHL and SMARCA2/SMARCA4, thereby stabilizing ternary complex formation and promoting proteasomal degradation of target proteins. PROTAC SMARCA2/4-degrader-27 exhibits enhanced cell permeability and stronger ternary complex formation ability, leading to improved degradation activity. PROTAC SMARCA2/4-degrader-27 can be used in cancer-related research[1].
Cat. No.: HY-112624H
CAS No.: 9004-54-0
Synonyms: Dextran 2; Dextran D2; Dextran T2(MW 1600-2400)
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Protocols
Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!A suitable model is crucial in drug screening experiments. Organs can mimic the three-dimensional functional structure of internal organs, have similar spatial organization to corresponding organs, maintain some key characteristics, and reproduce some physiological functions. They are widely used for modeling and personalized drug screening physiological functions.2025-02-06
