Using molecular docking between organic chemicals and lipid membrane to revise the well known octanol-water partition coefficient of the mixture

Environmental Toxicology and Pharmacology

Volumn 34, Issue 1, 2012, Pages 59-66

  Wang, Ting ^a   Zhou, Xianghong ^a   Wang, Dali ^a   Yin, Daqiang ^b   Lin, Zhifen ^a  

^a TONGJI UNIVERSITY   (China)

^b NONE   (China)

Author keywords

LogKowmix; Molecular docking; Non polar narcotic chemical; QSAR

Indexed keywords

NARCOTIC AGENT; OCTANOL; ORGANIC COMPOUND; WATER;

ANALYTICAL PARAMETERS; ARTICLE; DRUG MIXTURE; FEASIBILITY STUDY; INTERMETHOD COMPARISON; LINEAR SYSTEM; LIPID MEMBRANE; MATHEMATICAL COMPUTING; MOLECULAR DOCKING; PARTITION COEFFICIENT; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TOXICITY TESTING; VALIDITY;

1-OCTANOL; CELL MEMBRANE; CENTRAL NERVOUS SYSTEM DEPRESSANTS; MEMBRANE LIPIDS; MODELS, THEORETICAL; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; WATER;

EID: 84862814424     PISSN: 13826689     EISSN: 18727077     Source Type: Journal    
DOI: 10.1016/j.etap.2012.02.008     Document Type: Article

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