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Molecular Docking Studies

Computational methods and software might be used to simulate how these compounds interact with specific target proteins or enzymes involved in the inflammatory response. This can help in understanding the potential mechanisms of action.

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Articles of Molecular Docking Studies

Synthesis, evaluation and docking studies on 3-alkoxy-4-methanesulfonamido acetophenone derivatives as non ulcerogenic anti-inflammatory agents
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- 1-(4-amino-3-n-butoxyphenyl)ethanone
Synthesis, anticancer activity and molecular docking studies on a series of heterocyclic trans-cyanocombretastatin analogues as antitubulin agents
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- (Z)-2-(3,4-dimethoxyphenyl)-3-(1H-indol-3-yl)acrylonitrile
- 3
- 4
Synthesis, sciatic nerve block activity evaluation and molecular docking of fluoro-substituted lidocaine analogs as local anesthetic agents
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- Benzenamine, 2-(chloromethyl)-6-(trifluoromethyl)-, hydrochloride
- Succinimide
- HCl
Synthesis, biological evaluation, and molecular docking studies of novel isatin-thiazole derivatives as α-glucosidase inhibitors
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- 1-METHYLISATIN, 3-THIOSEMICARBAZIDE
Synthesis, In-vitro evaluation and molecular docking studies of oxoindolin phenylhydrazine carboxamides as potent and selective inhibitors of ectonucleoside triphosphate diphosphohydrolase (NTPDase)
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- N-(4-methoxyphenyl)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carboxamide
Novel N-Substituted oseltamivir derivatives as potent influenza neuraminidase inhibitors: Design, synthesis, biological evaluation, ADME prediction and molecular docking studies
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- methyl 4-(3,4-difluorophenyl)-2,4-dioxobutanoate
N-(indazolyl)benzamido derivatives as CDK1 inhibitors: Design, synthesis, biological activity, and molecular docking studies
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- N-(1H-indazol-3-yl)-2-iodobenzamide
Antimicrobial and cytotoxic evaluation of eugenol derivatives
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- 4-fluoro-benzoic acid 4-allyl-2-methoxy-phenyl ester
Potent human dihydroorotate dehydrogenase inhibitory activity of new quinoline-4-carboxylic acids derived from phenolic aldehydes: Synthesis, cytotoxicity, lipophilicity and molecular docking studies
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- 2-(3,4-DIMETHOXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID
Synthesis of new class of spirocarbocycle derivatives by multicomponent domino reaction and their evaluation for antimicrobial, anticancer activity and molecular docking studies
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- 2-(4-methoxybenzylidene)cyclohexane-1,3-dione
2-Aryl-3-(2-morpholinoethyl)thiazolidin-4-ones: Synthesis, anti-inflammatory in vivo, cytotoxicity in vitro and molecular docking studies
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Design, synthesis, antimicrobial evaluation, and molecular docking of novel chiral urea/thiourea derivatives bearing indole, benzimidazole, and benzothiazole scaffolds
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- benzyl (1H-indol-3-yl)carbamate
Discovery of bis-aromatic ring neonicotinoid analogues fixed as cis-configuration: Synthesis, insecticidal activities, and molecular docking studies
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- (Z)-4-[[( 6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1-(4-fluorophenyl)-1,2,3,6-tetrahydropyrimidine
Synthesis, Antimicrobial Activities, and Molecular Docking Studies of Dihydrotriazine Derivatives Bearing a Quinoline Moiety
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- 6-(4-chlorobenzyloxy)-3,4-dihydro-2(1H)-quinolinone
Discovery of simplified N²-substituted pyrazolo[3,4-d]pyrimidine derivatives as novel adenosine receptor antagonists: Efficient synthetic approaches, biological evaluations and molecular docking studies
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- 6-Amino-2-phenethyl-2H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Synthesis and biological evaluation of combretastatin analogs as cell cycle inhibitors of the G1 to S transition in Saccharomyces cerevisiae
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- Benzene, 1,2,3-trimethoxy-5-[(1E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-
Synthesis, biological evaluation, and molecular docking studies of 1,3,4-oxadiazole derivatives possessing 1,4-benzodioxan moiety as potential anticancer agents
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- 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(3-methylbenzylthio)-1,3,4-oxadiazole

Related entries

Synthesis Evaluation Pharmacological evaluation Inhibitors Characterization Lipophilicity Derivatives Molecular docking Synthesis process Local anesthetic agents Fluoro-substituted Optimization α-glucosidase inhibitors Cytotoxicity Anticancer agents Chemical modification Enzyme inhibition Data Analysis Publication Structure-Activity Relationship (SAR) Analysis Chemical Synthesis Structure-Activity Relationship (SAR) Studies Literature Review Biological Evaluation In Vivo Studies Cell Viability Assays Conclusion Design Docking Studies 3-Alkoxy-4-Methanesulfonamido Acetophenone Derivatives Non-Ulcerogenic Anti-Inflammatory Agents Safety Assessment Antimicrobial Activities Future Directions References Antimicrobial Evaluation Publication and Reporting Ethical Considerations Patent Consideration Biological evaluations Biological Activity Anticancer activity Synthesis of Heterocyclic Trans-Cyanocombretastatin Analogues Further Research Introduction Synthesis of Fluoro-Substituted Lidocaine Analogues Sciatic Nerve Block Activity Evaluation Discussion Structural Modification

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