Evaluation of influence of single nucleotide polymorphisms in cytochrome P450 2B6 on substrate recognition using computational docking and molecular dynamics simulation

PLoS ONE

Volumn 9, Issue 5, 2014, Pages

  Kobayashi, Kana ^a   Takahashi, Ohgi ^a   Hiratsuka, Masahiro ^b   Yamaotsu, Noriyuki ^c   Hirono, Shuichi ^c   Watanabe, Yurie ^d   Oda, Akifumi ^d,e  

^a TOHOKU PHARMACEUTICAL UNIVERSITY   (Japan)

^b TOHOKU UNIVERSITY   (Japan)

^c KITASATO UNIVERSITY   (Japan)

^d KANAZAWA UNIVERSITY   (Japan)

^e OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ARTEMETHER; CYTOCHROME P450 2B6; ARTEMISININ DERIVATIVE; LIGAND; PROTEIN BINDING;

ARTICLE; CARBOXY TERMINAL SEQUENCE; COMPLEX FORMATION; DEMETHYLATION; DRUG STRUCTURE; ENZYME ACTIVITY; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; MUTATION; PREDICTION; PROTEIN CONFORMATION; SINGLE NUCLEOTIDE POLYMORPHISM; CHEMICAL MODEL; CHEMISTRY; ENZYME SPECIFICITY; GENETICS; HUMAN; PROTEIN SECONDARY STRUCTURE; TEMPERATURE;

ARTEMISININS; CYTOCHROME P-450 CYP2B6; HUMANS; HYDROGEN BONDING; LIGANDS; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; MUTATION; POLYMORPHISM, SINGLE NUCLEOTIDE; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; SUBSTRATE SPECIFICITY; TEMPERATURE;

EID: 84900398592     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0096789     Document Type: Article

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