Ontology highlight
ABSTRACT:
SUBMITTER: Kobayashi K
PROVIDER: S-EPMC4010486 | biostudies-literature | 2014
REPOSITORIES: biostudies-literature
Kobayashi Kana K Takahashi Ohgi O Hiratsuka Masahiro M Yamaotsu Noriyuki N Hirono Shuichi S Watanabe Yurie Y Oda Akifumi A
PloS one 20140505 5
In this study, we investigated the influence of single nucleotide polymorphisms on the conformation of mutated cytochrome P450 (CYP) 2B6 proteins using molecular dynamics (MD) simulation. Some of these mutations influence drug metabolism activities, leading to individual variations in drug efficacy and pharmacokinetics. Using computational docking, we predicted the structure of the complex between the antimalarial agent artemether and CYP2B6 whose conformations were obtained by MD simulation. Th ...[more]