Mechanism of drug resistance in HIV-1 protease subtype C in the presence of Atazanavir.

ABSTRACT: AIDS is one of the deadliest diseases in the history of humankind caused by HIV. Despite the technological development, curtailing the viral infection inside human host still remains a challenge. Therapies such as HAART uses a combination of drugs to inhibit the viral activity. One of the important targets includes HIV protease and inhibiting its activity will minimize the production of mature structural proteins. However, the genetic diversity and the occurrence of drug resistant mutations adds complexity to effective drug design. In this study, we aimed at understanding the drug binding mechanism of one such subtype, namely subtype C and its insertion variant L38HL. We performed multiple molecular dynamics simulations along with binding free energy analysis of wild-type and L38HL bound t

SUBMITTER: Sankaran SV 

PROVIDER: S-EPMC10907180 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature