Exploring the structure characteristics and major channels of cytochrome P450 2A6, 2A13, and 2E1 with pilocarpine-Reference-Cited by-同舟云学术

Exploring the structure characteristics and major channels of cytochrome P450 2A6, 2A13, and 2E1 with pilocarpine

Published:2018-02-27 Issue:4 Volume:109 Page:e23108
ISSN:0006-3525
Container-title:Biopolymers
language:en
Short-container-title:Biopolymers

Author:

Fan Jing-Rong¹,Li Heng²,Zhang Hong-Xing¹,Zheng Qing-Chuan¹²^ORCID

Affiliation:

1. Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry; International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Jilin University; Changchun 130023 People's Republic of China

2. Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, College of Life Science; Jilin University; Changchun 130012 People's Republic of China

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

Organic Chemistry,Biomaterials,Biochemistry,General Medicine,Biophysics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/bip.23108/fullpdf

Reference47 articles.

1. Single or Multiple Access Channels to the CYP450s Active Site? An Answer from Free Energy Simulations of the Human Aromatase Enzyme

2. Molecular Dynamics and QM/MM Calculations Predict the Substrate-Induced Gating of Cytochrome P450 BM3 and the Regio- and Stereoselectivity of Fatty Acid Hydroxylation

3. Computational Investigation of Ligand Binding to the Peripheral Site in CYP3A4: Conformational Dynamics and Inhibitor Discovery