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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
107 Results for "
in silico docking
" in MedChemExpress (MCE) Product Catalog:
Products (107)
107 Results for "in silico docking" in MCE Product Catalog:
16
16 Publications Verification
Synonyms: 5,7-Dihydroxy-4'-methoxyflavone
4
4 Cited Publications
Cat. No.: HY-N2025
CAS No.: 57396-78-8
Category:
Plant Flavonoids Oroxylum indicum (Linn.) Bentham ex Kurz Extract Flavones Metabolic Disease Bignoniaceae Extract Disease Research Fields
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3
3 Cited Publications
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CPYPP is a DOCK2-Rac1 interaction inhibitor. CPYPP binds to DOCK2 DHR-2 domain and inhibits the guanine nucleotide exchange factor (GEF) activity of DOCK2 DHR-2 for Rac1 in a dose-dependent manner with an IC50 of 22.8 µM. CPYPP also inhibits DOCK180 and DOCK5 and less inhibits DOCK9 .
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1 Cited Publications
Cat. No.: HY-W440835
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DSPE-PEG2000-DBCO is a phospholipid PEG polymer that combines a hydrophobic phospholipid (DSPE), a hydrophilic polyethylene glycol spacer with a molecular weight of 1000 Da, and a reactive click chemistry terminal group (DBCO). DSPE-PEG2000-DBCO migrates to lymph nodes via the endogenous albumin transport system, implants bioorthogonal DBCO docking sites, and enables the enrichment of azide-functionalized vesicles in lymph nodes mediated by click chemistry. DSPE-PEG2000-DBCO can be used in studies related to atherosclerosis .
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1
1 Cited Publications
TBOPP is a selective inhibitor of DOCK1 with an IC50 of 8.4 μM. TBOPP binds to the DOCK1 DHR-2 domain with high affinity (Kd of 7.1 μM), has anti-tumor activity for broader types of tumors .
1
1 Cited Publications
ZINC69391, a specific Rac1 inhibitor, interferes with Rac1-GEF interaction by masking Trp56 residue on Rac1 surface. ZINC69391 interferes with the interaction of Rac1 with Dock180 and reduces Rac1-GTP levels. ZINC69391 induces apoptosis, and shows antiproliferative and antimetastatic effects .
1
1 Cited Publications
Cat. No.: HY-W157689
CAS No.: 49619-58-1
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IDE-IN-2 (Compound 4) is an inhibitor for insulin-degrading enzyme. IDE-IN-2 is predicted to have CYP3A4, CYP2C19, hERG, NADP+, HIF1α and histidine kinase inhibitory activities, and has potential biological activity in anti-diabetic, anti-tumor, anti-bacterial aspects, according to the in silico prediction .
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Vitex negundo Linn. Extract Natural Products Plant Verbenaceae Extract Disease Research Fields Inflammation/Immunology
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DOCK2-IN-1 (Compound 3) is an analog of CPYPP (HY-110100) and a DOCK2 inhibitor (IC50 = 19.1 μM). DOCK2-IN-1 binds to the DHR-2 domain of DOCK2 and inhibits its mediated Rac guanine nucleotide exchange factor activity. DOCK2-IN-1 blocks chemokine receptor- and antigen receptor-mediated activation of Rac in lymphocytes. DOCK2-IN-1 significantly inhibits chemotaxis and T cell activation. DOCK2-IN-1 can be used in the research of transplant rejection and organ-specific autoimmune diseases .
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Plant Flavonoids Other Diseases Rosaceae Extract Cerasus yedoensis (Mats.) Yü et Li Extract Disease Research Fields Isoflavones
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Cat. No.: HY-W440835E
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DSPE-PEG5000-DBCO is a phospholipid PEG polymer that combines a hydrophobic phospholipid (DSPE), a hydrophilic polyethylene glycol spacer with a molecular weight of 5000 Da, and a reactive click chemistry terminal group (DBCO). DSPE-PEG-DBCO migrates to lymph nodes via the endogenous albumin transport system, implants bioorthogonal DBCO docking sites, and enables the enrichment of azide-functionalized vesicles in lymph nodes mediated by click chemistry. DSPE-PEG-DBCO can be used in studies related to atherosclerosis .
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Gamendazole, an indazole carboxylic acid (ICA), is an orally active, selective HSP90AB1 (HSP90BETA) and EEF1A1 (eEF1A) inhibitor. Gamendazole binds to the C-terminal nucleotide binding pocket of HSP90 and cause downregulation of clients AKT1 and ERBB2, but stabilizes the HSP90 heterocomplex. Gamendazole specifically inhibits the actin bundling function of EEF1A1, but does not bind to the nucleotide docking pocket nor inhibits the ribosome charging or protein translation functions of EEF1A1. Gamendazole, an antispermatogenic compound with antifertility effects, has the potential for reversible non-hormonal male contraceptive agent research .
Cat. No.: HY-N16395
CAS No.: 96573-43-2
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PDK1-IN-RS2 is a mimic of peptide docking motif (PIFtide) and is a substrate-selective PDK1 inhibitor with a Kd of 9 μM. PDK1-IN-RS2 suppresses the activation of the downstream kinases S6K1 by PDK1 .
Cat. No.: HY-Y0260
CAS No.: 13790-39-1
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4-Chloro-6,7-dimethoxyquinazoline is a quinazoline derivative. 4-Chloro-6,7-dimethoxyquinazoline exhibits a significant interaction with the AChE protein (as demonstrated by molecular docking analysis). 4-Chloro-6,7-dimethoxyquinazoline is applicable to research related to Alzheimer's disease .
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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
