In Silico Identification of Potent Pancreatic Triacylglycerol Lipase Inhibitors from Traditional Chinese Medicine

PLoS ONE

Volumn 7, Issue 9, 2012, Pages

  Chen, Kuan Yu ^a   Chang, Su Sen ^a,b   Chen, Calvin Yu Chian ^a,b,c,d  

^a CHINA MEDICAL UNIVERSITY   (Taiwan)

^b CHINA MEDICAL UNIVERSITY HOSPITAL   (Taiwan)

^c ASIA UNIVERSITY   (Taiwan)

^d CHINA MEDICAL UNIVERSITY BEIGANG HOSPITAL   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

2 HEXADECENOIC ACID; ANTIOBESITY AGENT; AURANTIAMIDE; CNIDIADIN; TETRAHYDROLIPSTATIN; TRIACYLGLYCEROL LIPASE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CHINESE MEDICINE; COMPUTER MODEL; COMPUTER PROGRAM; DRUG DESIGN; DRUG IDENTIFICATION; DRUG POTENCY; DRUG STRUCTURE; ENZYME INHIBITION; HYDROPHOBICITY; MATHEMATICAL ANALYSIS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MULTIPLE LINEAR REGRESSION ANALYSIS; PREDICTION; SUPPORT VECTOR MACHINE; WEIGHT REDUCTION;

BINDING SITES; COMPUTATIONAL BIOLOGY; ENZYME INHIBITORS; HUMANS; HYDROGEN BONDING; INHIBITORY CONCENTRATION 50; LIGANDS; LINEAR MODELS; LIPASE; MEDICINE, CHINESE TRADITIONAL; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PANCREAS; PROTEIN STRUCTURE, SECONDARY; SUPPORT VECTOR MACHINES;

RUMEX;

EID: 84866065800     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0043932     Document Type: Article

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