Interaction of Nevirapine with the Peptide Binding Groove of HLA-DRB1*01:01 and Its Effect on the Conformation of HLA-Peptide Complex

Interaction of Nevirapine with the Peptide Binding Groove of HLA-DRB1*01:01 and Its Effect on the Conformation of HLA-Peptide Complex

Human leukocyte antigen (HLA)-DRB1*01:01 has been shown to be involved in nevirapine-induced hepatic hypersensitivity reactions. In the present study, in silico docking simulations and molecular dynamics simulations were performed to predict the interaction mode of nevirapine with the peptide bindin...

Full description

Bibliographic Details
Main Authors: Makoto Hirasawa, Katsunobu Hagihara, Koji Abe, Osamu Ando, Noriaki Hirayama
Format: Article
Language:English
Published: MDPI AG 2018-06-01
Series:International Journal of Molecular Sciences
Subjects:
nevirapine
HLA (human leukocyte antigen)
hepatic hypersensitivity reaction
idiosyncratic drug toxicity
MD (molecular dynamics) simulation
Online Access:http://www.mdpi.com/1422-0067/19/6/1660

Internet

http://www.mdpi.com/1422-0067/19/6/1660

Similar Items