Ontology highlight
ABSTRACT:
SUBMITTER: Cardoso WB
PROVIDER: S-EPMC7443253 | biostudies-literature | 2021 Feb
REPOSITORIES: biostudies-literature
Cardoso Wesley B WB Mendanha Sebastião A SA
Journal of molecular structure 20200823
In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular docking and molecular dynamics simulations. The <i>in silico</i> data demonstrated that, despite their molecular differences, all HPIs presented a similar behavior for the parameters analyzed, with the exception of Nelfinavir that showed better results for most of the molecular dynamics parameters in comparison with the N3 inhibito ...[more]