Docking-assisted 3D-QSAR studies on xanthones as α-glucosidase inhibitors

Journal of Molecular Modeling

Volumn 23, Issue 9, 2017, Pages

  Zheng, Xuehua ^a   Zhou, Siyuan ^b   Zhang, Chen ^b   Wu, Deyan ^b   Luo, Hai Bin ^b,c   Wu, Yinuo ^b  

^a GUANGZHOU MEDICAL UNIVERSITY   (China)

^b SUN YAT SEN UNIVERSITY   (China)

^c NATIONAL UNIVERSITY OF DEFENSE TECHNOLOGY   (China)

Author keywords

3D QSAR; Docking; Homology modeling; Xanthone derivatives; glucosidase

Indexed keywords

ALPHA GLUCOSIDASE INHIBITOR; XANTHONE DERIVATIVE; GLYCOSIDASE; GLYCOSIDASE INHIBITOR; SACCHAROMYCES CEREVISIAE PROTEIN;

AMINO ACID SEQUENCE; ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CRYSTAL STRUCTURE; DRUG CONFORMATION; ENZYME INHIBITION; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN TARGETING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING; ANTAGONISTS AND INHIBITORS; CHEMISTRY; CONFORMATION; ENZYMOLOGY; METABOLISM; SACCHAROMYCES CEREVISIAE;

GLYCOSIDE HYDROLASE INHIBITORS; GLYCOSIDE HYDROLASES; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SACCHAROMYCES CEREVISIAE; SACCHAROMYCES CEREVISIAE PROTEINS; XANTHONES;

EID: 85028656843     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-017-3438-1     Document Type: Article

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