分子モデリング
計算方法を用いて分子構造と性質の学科を研究する。
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分子モデリングの学術論文
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Orthogonal hydrogen/halogen bonding in 1-(2-methoxyphenyl)-1H-imidazole-2(3H)-thione-I2 adduct: An experimental and theoretical study
関連化学物質
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N-(2-methoxyphenyl)-2-mercaptoimidazole
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Design and synthesis of thrombin receptor-derived nonpeptide mimetics utilizing a piperazine scaffold
関連化学物質
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1-phenylacetyl-4-[2-(tert-butoxycarbonylamino)acetyl]piperazine
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Synthesis, biological evaluation and molecular modelling of 2,4-disubstituted-5-(6-alkylpyridin-2-yl)-1H-imidazoles as ALK5 inhibitors
関連化学物質
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4-((1-hydroxy-5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-yl)methyl)benzonitrile
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TVB-2640
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Design, synthesis and characterization of N9/N7-substituted 6-aminopurines as VEGF-R and EGF-R inhibitors
関連化学物質
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Ethanone, 2-(6-amino-9H-purin-9-yl)-1-phenyl-
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Molecular modeling of drug-pathophysiological Mtb protein targets: Synthesis of some 2-thioxo-1, 3-thiazolidin-4-one derivatives as anti-tubercular agents
関連化学物質
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(Z)-5-(4-benzyloxyphenyl)methylidene-2-thioxo-4-thiazolidinone
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Synthesis, molecular modeling and BACE-1 inhibitory study of tetrahydrobenzo[b] pyran derivatives
関連化学物質
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2-amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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Synthesis, molecular modeling, and evaluation of nonphenolic indole analogs of mycophenolic acid
関連化学物質
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Benzene, 1-methyl-4-nitro-2-(2-propenyloxy)-
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Isoxazolopyrimidines as novel F508-CFTR correctors
関連化学物質
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4-isoxazolecarboxamide, 5-amino-3-(3-chlorophenyl)-
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Synthesis, biological evaluation, and molecular modeling investigation of chiral 2-(4-chloro-phenoxy)-3-phenyl-propanoic acid derivatives with PPARα and PPARγ agonist activity
関連化学物質
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2-(2-bromo-4-chlorophenoxy)-3-phenylpropanoic acid
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Development of LM98, a Small-Molecule TEAD Inhibitor Derived from Flufenamic Acid
関連化学物質
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acetamide, N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenyl)-
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Design, synthesis, and biological evaluation of a series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as dual inhibitors of human immunodeficiency virus type 1 integrase and the reverse transcriptase RNase H domain
関連化学物質
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2-(carboxymethyl)-5-{[(3-nitrophenyl)carbonyl]amino}benzoic acid
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Synthesis and pharmacological evaluation of novel fused thiophene derivatives as 5-HT2A receptor antagonists: Molecular modeling study
関連化学物質
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3-amino-2-[[4-phenylpiperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[2,3-d]pyrimidin-4(3H)-one
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Quantitative relations between structure and activation of fibrinolysis in selected series of arylaliphatic acids
関連化学物質
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4-(2-メチルプロピル)ベンゼンアセトニトリル
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Design, synthesis, and evaluation of imidazo[1,2-b]pyridazine derivatives having a benzamide unit as novel VEGFR2 kinase inhibitors
関連化学物質
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N-[4-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]-N'-phenylurea
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Novel Combretastatin-2-aminoimidazole Analogues as Potent Tubulin Assembly Inhibitors: Exploration of Unique Pharmacophoric Impact of Bridging Skeleton and Aryl Moiety
関連化学物質
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2,3-diphenylimidazo[1,2-a]pyrimidine
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Synthesis, molecular modeling and biological evaluation of aza-proline and aza-pipecolic derivatives as FKBP12 ligands and their in vivo neuroprotective effects
関連化学物質
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1H-Imidazole-1-carboxylic acid, 3-phenylpropyl ester
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Synthesis, Screening, and Molecular Modeling of New Potent and Selective Antagonists at the α1d Adrenergic Receptor
関連化学物質
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3-(2-chlorophenyl)pentanedioic acid
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Antimycobacterial activity of new 3,5-disubstituted 1,3,4-oxadiazol-2(3H)-one derivatives. Molecular modeling investigations
関連化学物質
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3-[[(2-chlorobenzyl)-methyl-amino]methyl]-5-(pyridin-4-yl)-1,3,4-oxadiazol-2(3H)-one
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Pyrazolone-fused combretastatins and their precursors: synthesis, cytotoxicity, antitubulin activity and molecular modeling studies
関連化学物質
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methyl 2-[(2E)-(2-(3,4-dimethoxyphenyl)-3-(2,4,5-trimethoxyphenyl))prop-2-enoyl]hydrazinecarboxylate
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Synthesis, molecular modeling of N-acyl benzoazetinones and their docking simulation on fungal modeled target
関連化学物質
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2-(acetamido)-4-bromo-5-methoxybenzoic acid
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Stereoelectronic factors influencing the biological activity and DNA interaction of synthetic antitumor agents modeled on CC-1065
関連化学物質
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[2-(5-Benzyloxy-1-hydroxymethyl-8-methyl-1,6-dihydro-2H-pyrrolo[3,2-e]indole-3-carbonyl)-1H-indol-5-yl]-urea
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Crystal and molecular structure of methyl 4-O-methyl-β-D-glucopyranosyl-(1→4)-β-D-glucopyranoside
関連化学物質
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methyl 2,3,6-tri-O-benzyl-β-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzyl-β-D-glucopyranoside
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Knots for Molecular Strings of Beads
関連化学物質
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diethyl 2,2-bis(4-tert-butylbenzyl)malonate
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Total synthesis of (±)tanikolide
関連化学物質
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1-benzyloxy-5-hexadecanol
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Discovery of aminoquinolines as a new class of potent inhibitors of heat shock protein 90 (Hsp90): Synthesis, biology, and molecular modeling
関連化学物質
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N-(6-methoxyquinolin-8-yl)butane-1,4-diamine
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Targeting EGFR tyrosine kinase: Synthesis, in vitro antitumor evaluation, and molecular modeling studies of benzothiazole-based derivatives
関連化学物質
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2-[2-(4-phenylpiperazin-1-yl)acetylamino]benzothiazole
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What Is the True Structure of D609, a Widely Used Lipid Related Enzyme Inhibitor?
関連化学物質
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(3aRS,4RS,5RS,7RS,7aRS)-(±)-octahydro-1H-4,7-methanoinden-5-yl 4-nitrobenzoate
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