Modelling interaction between HIV-1 Nef and calnexin.

ABSTRACT:

Background

HIV-associated atherosclerosis is a major comorbidity due, in part, to systemic effects of the virus on cholesterol metabolism. HIV protein Nef plays an important role in this pathology by impairing maturation of the main cellular cholesterol transporter ATP-Binding Cassette (ABCA) 1. ABCA1 maturation critically depends on calnexin, an integral endoplasmic reticulum membrane chaperone, and Nef binds to the cytoplasmic domain of calnexin and impairs interaction of calnexin with ABCA1. Overarching goal of the present study was to model Nef-calnexin interaction interface, and identify small molecule compounds potentially inhibiting this interaction.

Methods

Molecular dynamics was utilized to build structure model of calnexin cytoplasmic domain, followed by global doc

SUBMITTER: Adzhubei AA 

PROVIDER: S-EPMC6136951 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature