分子ドッキング研究
計算方法およびソフトウェアは、これらの化合物が炎症反応に関与する特定の標的タンパク質または酵素とどのように相互作用するかをシミュレートするために使用することができる。これは潜在的な作用メカニズムを理解するのに役立つ。
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分子ドッキング研究の学術論文
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Synthesis, evaluation and docking studies on 3-alkoxy-4-methanesulfonamido acetophenone derivatives as non ulcerogenic anti-inflammatory agents
関連化学物質
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1-(4-amino-3-n-butoxyphenyl)ethanone
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Synthesis, anticancer activity and molecular docking studies on a series of heterocyclic trans-cyanocombretastatin analogues as antitubulin agents
関連化学物質
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4
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(Z)-2-(3,4-dimethoxyphenyl)-3-(1H-indol-3-yl)acrylonitrile
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3
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Synthesis, sciatic nerve block activity evaluation and molecular docking of fluoro-substituted lidocaine analogs as local anesthetic agents
関連化学物質
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スクシンイミド
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HCl
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Benzenamine, 2-(chloromethyl)-6-(trifluoromethyl)-, hydrochloride
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Antimicrobial and cytotoxic evaluation of eugenol derivatives
関連化学物質
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4-fluoro-benzoic acid 4-allyl-2-methoxy-phenyl ester
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Synthesis, biological evaluation, and molecular docking studies of novel isatin-thiazole derivatives as α-glucosidase inhibitors
関連化学物質
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1-METHYLISATIN, 3-THIOSEMICARBAZIDE
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Synthesis of new class of spirocarbocycle derivatives by multicomponent domino reaction and their evaluation for antimicrobial, anticancer activity and molecular docking studies
関連化学物質
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2-(4-methoxybenzylidene)cyclohexane-1,3-dione
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Synthesis, biological evaluation, and molecular docking studies of 1,3,4-oxadiazole derivatives possessing 1,4-benzodioxan moiety as potential anticancer agents
関連化学物質
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2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(3-methylbenzylthio)-1,3,4-oxadiazole
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Discovery of bis-aromatic ring neonicotinoid analogues fixed as cis-configuration: Synthesis, insecticidal activities, and molecular docking studies
関連化学物質
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(Z)-4-[[( 6-chloro-3-pyridinyl)methyl]ethylamino]-3-methyl-5-nitro-1-(4-fluorophenyl)-1,2,3,6-tetrahydropyrimidine
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Synthesis, In-vitro evaluation and molecular docking studies of oxoindolin phenylhydrazine carboxamides as potent and selective inhibitors of ectonucleoside triphosphate diphosphohydrolase (NTPDase)
関連化学物質
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N-(4-methoxyphenyl)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carboxamide
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Novel N-Substituted oseltamivir derivatives as potent influenza neuraminidase inhibitors: Design, synthesis, biological evaluation, ADME prediction and molecular docking studies
関連化学物質
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methyl 4-(3,4-difluorophenyl)-2,4-dioxobutanoate
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N-(indazolyl)benzamido derivatives as CDK1 inhibitors: Design, synthesis, biological activity, and molecular docking studies
関連化学物質
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N-(1H-indazol-3-yl)-2-iodobenzamide
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Synthesis, Antimicrobial Activities, and Molecular Docking Studies of Dihydrotriazine Derivatives Bearing a Quinoline Moiety
関連化学物質
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6-(4-chlorobenzyloxy)-3,4-dihydro-2(1H)-quinolinone
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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
関連化学物質
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6-Amino-2-phenethyl-2H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
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Potent human dihydroorotate dehydrogenase inhibitory activity of new quinoline-4-carboxylic acids derived from phenolic aldehydes: Synthesis, cytotoxicity, lipophilicity and molecular docking studies
関連化学物質
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2-(3,4-DIMETHOXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID
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Synthesis and biological evaluation of combretastatin analogs as cell cycle inhibitors of the G1 to S transition in Saccharomyces cerevisiae
関連化学物質
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Benzene, 1,2,3-trimethoxy-5-[(1E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-
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