Binding interaction of quercetin-3-β-galactoside and its synthetic derivatives with SARS-CoV 3CLpro: Structure-activity relationship studies reveal salient pharmacophore features

Bioorganic and Medicinal Chemistry

Volumn 14, Issue 24, 2006, Pages 8295-8306

  Chen, Lili ^a   Li, Jian ^a   Luo, Cheng ^a   Liu, Hong ^a   Xu, Weijun ^b   Chen, Gang ^b   Liew, Oi Wah ^b   Zhu, Weiliang ^a   Puah, Chum Mok ^b   Shen, Xu ^a   Jiang, Hualiang ^a  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

^b SINGAPORE POLYTECHNIC   (Singapore)

Author keywords

Molecular modeling; Quercetin 3 galactoside; SARS CoV 3CLpro; Structure activity relationships; Virtual screening

Indexed keywords

2 (2,2 DIPHENYLBENZO[D][1,3]DIOXOL 5 YL) 3,5,7 TRIHYDROXY 4H CHROMEN 4 ONE; 2 (2,2 DIPHENYLBENZO[D][1,3]DIOXOL 5 YL) 5 HYDROXY 3,7 DI(TETRAACETYLGALACTOSYL) 4H CHROMEN 4 ONE; 2 (2,2 DIPHENYLBENZO[D][1,3]DIOXOL 5 YL) 5,7 DIHYDROXY 3 TETRAACETYLGALACTOSYL 4H CHROMEN 4 ONE; 2 (3',4' DIHYDROXYPHENYL) 3BETA DEXTRO GALACTOSYL 4H CHROMEN 4 ONE; 2 (3',4' DIHYDROXYPHENYL) 5 HYDROXY 3,7 BIS(BETA DEXTRO GALACTOSYL) 4H CHROMEN 4 ONE; 2 (3',4' DIHYDROXYPHENYL) 5,7 DIHYDROXY 3 BETA DEXTRO ARABINOSYL 4H CHROMEN 4 ONE; 2 (3',4' DIHYDROXYPHENYL) 5,7 DIHYDROXY 3 BETA DEXTRO GALACTOSYL 4H CHROMEN 4 ONE; 2 (3',4' DIHYDROXYPHENYL) 5,7 DIHYDROXY 3 BETA DEXTRO GLUCOSYL 4H CHROMEN 4 ONE; 2 (3',4' DIHYDROXYPHENYL) 5,7 DIHYDROXY 3 BETA LEVO FUCOSYL 4H CHROMEN 4 ONE; 2 [3',4' BIS(BENZYLOXY)PHENYL] 3 HYDROXY 4H CHROMEN 4 ONE; 2 PHENYL 3BETA DEXTRO GALACTOSYL 4H CHROMEN 4 ONE; 2 PHENYL 5,7 DIHYDROXY 3BETA DEXTRO GALACTOSYL 4H CHROMEN 4 ONE; 3,5,7 TRIHYDROXY 2 PHENYL 4H CHROMEN 4 ONE; CYANOMETHYL BENZOATE; FLAVONE DERIVATIVE; GALACTOSE; HYPERIN; PROTEINASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BIOASSAY; DRUG ACTIVITY; DRUG BINDING; ENZYME ACTIVITY; FLUORESCENCE RESONANCE ENERGY TRANSFER; GENE MUTATION; MOLECULAR MODEL; MUTAGENESIS; NONHUMAN; PHARMACOPHORE; SARS CORONAVIRUS; STRUCTURE ACTIVITY RELATION;

BINDING SITES; CYSTEINE ENDOPEPTIDASES; DRUG DESIGN; HUMANS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEASE INHIBITORS; QUERCETIN; SARS VIRUS; STRUCTURE-ACTIVITY RELATIONSHIP; VIRAL PROTEINS;

CORONAVIRUS; SARS CORONAVIRUS;

EID: 33750496903     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2006.09.014     Document Type: Article

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