Identification of African Swine Fever Virus Inhibitors through High Performance Virtual Screening Using Machine Learning.

ABSTRACT: African swine fever virus (ASFV) is a highly contagious virus that causes severe hemorrhagic viral disease resulting in high mortality in domestic and wild pigs, until few antiviral agents can inhibit ASFV infections. Thus, new anti-ASFV drugs need to be urgently identified. Recently, we identified pentagastrin as a potential antiviral drug against ASFVs using molecular docking and machine learning models. However, the scoring functions are easily influenced by properties of protein pockets, resulting in a scoring bias. Here, we employed the 5'-P binding pocket of AsfvPolX as a potential binding site to identify antiviral drugs and classified 13 AsfvPolX structures into three classes based on pocket parameters calculated by the SiteMap module. We then applied principal compon

SUBMITTER: Choi J 

PROVIDER: S-EPMC8703626 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature