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Structural Biology 2018
Volume: 4
Biochemistry & Molecular Biology Journal
Page 66
March 15-16 2018
Barcelona, Spain
10
th
Edition of International Conference on
Structural Biology
T
hecytochromeP450 (CYP450) superfamily plays an important
role in the oxidation of almost 90% drugs used currently. As
variations of single nucleotide polymorphism (SNPs) in human
CYP450 genes will cause different drug effects and even adverse
effects, studies on SNPs of human CYP450 genes can be used
for indicating the most possible genes associated with human
diseases and relevant therapeutic targets, predicting the drug
efficacy and adverse drug response, investigating individual gene
specific properties and then providing personalized and optimal
clinical therapies. We have done extensive bioinformatics studies
on CYP450 SNPs and its impact on the drug metabolism in the
frame work of personalized medicine, i.e., SNPs prediction,
the substrate specificity, comparative molecular field analysis,
molecular dynamics simulation and QM/MM studies of the
metabolic mechanism. Based on the structure of membrane
protein targets acquired by bioinformatics tools, and database
of molecules extracted from traditional Chinese medicines,
various cheminformatics procedures, in the context of network
pharmacology, were performed to screen for potential active
compounds. A molecule named wgx-50 was obtained, which
is an effective component from the Sichuan pepper. Extensive
experiments strongly suggest that wgx-50 possesses biologic
functions against AD. Discoveries were also made in its potential
role in anti-aging.
dqwei@sjtu.edu.cnPersonalized drug in the era of big data and precision medicine
Dong-Qing Wei
Shanghai Jiao Tong University, China
Biochem Mol biol J, Volume 4
DOI: 10.21767/2471-8084-C1-009