SCOPUS 정보 검색 플랫폼

Volumn 19, Issue 22, 2011, Pages 6892-6905

A new method for induced fit docking (genius) and its application to virtual screening of novel HCV NS3-4A protease inhibitors

(14) Takaya, Daisuke a Yamashita, Atsuya b Kamijo, Kazue a Gomi, Junko a Ito, Masahiko b Maekawa, Shinya b Enomoto, Nobuyuki b Sakamoto, Naoya c Watanabe, Yoshiaki d Arai, Ryoichi d Umeyama, Hideaki d Honma, Teruki a Matsumoto, Takehisa a Yokoyama, Shigeyuki a,e

a RIKEN (Japan)

b UNIVERSITY OF YAMANASHI (Japan)

c TOKYO MEDICAL AND DENTAL UNIVERSITY (Japan)

d KITASATO UNIVERSITY (Japan)

e UNIVERSITY OF TOKYO (Japan)

Author keywords

HCV; Ligand docking; NS 3 4A protease; Structure based drug design; Virtual screening

Indexed keywords

(4 FORMYL 2 METHOXYPHENYL)ACETATE; (5 BROMO 4 FORMYL 2 METHOXYPHENYL)ACETATE; 2 BROMO 4 HYDROXY 5 METHOXYBENZALDEHYDE; 2 BROMO 5 METHOXY 4 [(4 NITROPHENYL)METHOXY]BENZALDEHYDE; 2 ETHENYL 5 METHOXY 4 [(4 NITROPHENYL)METHOXY]BENZALDEHYDE; 2 ETHYL 5 METHOXY 4 [(4 NITROPHENYL)METHOXY]BENZALDEHYDE; 3 METHOXY 4 [(4 NITROPHENYL)METHOXY]BENZALDEHYDE; 3 METHOXY 5 NITRO 4 [(4 NITROPHENYL)METHOXY]BENZALDEHYDE; 3,5 DIMETHOXY 4 [(4 NITROPHENYL)METHOXY]BENZALDEHYDE; 5 METHOXY 2 METHYL 4 [(4 NITROPHENYL)METHOXY]BENZALDEHYDE; 5 NITRO 1 BENZOFURAN 2 CARBOHYDRAZIDE; L 298662; L 368399; L 393436; N [[2 ETHYL 5 METHOXY 4 [(4 NITROPHENYL)METHOXY]PHENYL]METHYLIDENEAMINO] 5 NITRO 1 BENZOFURAN 2 CARBOXAMIDE; N [[3 METHOXY 4 [(4 NITROPHENYL)METHOXY]PHENYL]METHYLIDENEAMINO] 5 NITRO 1 BENZOFURAN 2 CARBOXAMIDE; N [[3 METHOXY 5 NITRO 4 [(4 NITROPHENYL)METHOXY]PHENYL]METHYLIDENEAMINO] 5 NITRO 1 BENZOFURAN 2 CARBOXAMIDE; N [[5 METHOXY 2 METHYL 4 [(4 NITROPHENYL)METHOXY]PHENYL]METHYLIDENEAMINO] 5 NITRO 1 BENZOFURAN 2 CARBOXAMIDE; NATR 212614; NS3 4A PROTEASE; NS3 4A PROTEASE INHIBITOR; R 941689; R 942251; R 985147; R 988529; SERINE PROTEINASE; SERINE PROTEINASE INHIBITOR; TERT BUTYL N [(5 NITRO 1 BENZOFURAN 2 CARBONYL)AMINO]CARBAMATE; UNCLASSIFIED DRUG; UNINDEXED DRUG; VIRUS ENZYME;

BINDING KINETICS; COMPUTER MODEL; COMPUTER PROGRAM; CONFERENCE PAPER; CONTROLLED STUDY; DRUG BINDING SITE; DRUG SCREENING; DRUG SELECTIVITY; ENZYME INHIBITION; ENZYME STRUCTURE; HEPATITIS C VIRUS; HUMAN; HUMAN CELL; HYDROGEN BOND; HYDROPHOBICITY; IC 50; IN VITRO STUDY; INDUCED FIT DOCKING; INTERMOLECULAR COLLISION; MOLECULAR DOCKING; MOLECULAR INTERACTION; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

ANTIVIRAL AGENTS; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HEPATITIS C; HUMANS; PROTEIN CONFORMATION; SERINE PROTEINASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP; VIRAL NONSTRUCTURAL PROTEINS;

HEPATITIS C VIRUS;

EID: 80054983548 PISSN: 09680896 EISSN: 14643391 Source Type: Journal
DOI: 10.1016/j.bmc.2011.09.023 Document Type: Conference Paper

Times cited : (29)

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