Identification of novel 5-hydroxy-1H-indole-3-carboxylates with anti-HBV activities based on 3D QSAR studies

Journal of Molecular Modeling

Volumn 17, Issue 8, 2011, Pages 1831-1840

  Chai, Hui Fang ^a   Liang, Xin Xia ^b   Li, Lin ^c   Zhao, Chun Shen ^b   Gong, Ping ^d   Liang, Zhong Jie ^e   Zhu, Wei Liang ^e   Jiang, Hua Liang ^e   Luo, Cheng ^e  

^a GUIYANG COLLEGE OF TRADITIONAL CHINESE MEDICINE   (China)

^b GUIZHOU UNIVERSITY   (China)

^c SECOND MILITARY MEDICAL UNIVERSITY   (China)

^d SHENYANG PHARMACEUTICAL UNIVERSITY   (China)

^e SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

3D QSAR; Anti hepatitis B virus activity; Anti HBV; CoMFA; CoMSIA; Indole derivatives; QSAR; Synthesis

Indexed keywords

CARBOXYLIC ACID DERIVATIVE; ETHYL 6 BROMO 1 CYCLOPROPYL 4 [(2 METHYL 1H IMIDAZOL 1 YL)METHYL] 2 [(2 FLUOROBENZYLSULFINYL)METHYL] 5 HYDROXY 1H INDOLE 3 CARBOXYLIC ACID; ETHYL 6 BROMO 1 METHYL 4 (GUANIDINYLMETHYL) 2 [(2 METHOXYPHENYL)SULFINYLMETHYL] 5 HYDROXY 1H INDOLE 3 CARBOXYLIC ACID; ETHYL 6 BROMO 1 METHYL 4 [(2 METHYL 1H IMIDAZOL 1 YL)METHYL] 2 [(BENZYLSULFINYL)METHYL] 5 HYDROXY 1H INDOLE 3 CARBOXYLIC ACID; INDOLE DERIVATIVE; UNCLASSIFIED DRUG;

ANTIVIRAL ACTIVITY; ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; CYTOTOXICITY; DRUG CONFORMATION; DRUG STRUCTURE; DRUG SYNTHESIS; HEPATITIS B VIRUS; HYDROGEN BOND; HYDROPHOBICITY; IC 50; NONHUMAN; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY;

ANTIVIRAL AGENTS; CELL LINE, TUMOR; DRUG DESIGN; HEP G2 CELLS; HEPATITIS B VIRUS; HUMANS; INDOLES; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; VIRUS REPLICATION;

HEPATITIS B VIRUS;

EID: 80051791100     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0873-7     Document Type: Article

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