Repurposing integrase inhibitors against human T-lymphotropic virus type-1: a computational approach

• DOI: 10.1080/07391102.2024.2304681
• Publication Date: 2024-01-18T05:35:01Z
• Authors: Prashasti Sinha; Anil Kumar Yadav
• Keywords: Elvitegravir; Raltegravir; Dolutegravir; Docking (animal); Drug repositioning; Integrase inhibitor; Choroideremia

Adult T-cell Lymphoma (ATL) is caused by the delta retrovirus family member known as Human Leukaemia Type I (HTLV-1). Due to unavailability of any cure, study gained motivation identify some repurposed drugs against virus. A quick and accurate method screening licensed medications for finding a treatment HTLV-1 cheminformatics drug repurposing in order analyze dataset FDA approved integrase antivirals infection. To determine how antiviral interacted with important residues active regions, molecular docking modeling was used. The steady behavior ligands inside region then confirmed dynamics probable receptor-drug complexes. Cabotegravir, Raltegravir Elvitegravir had best scores target, indicating that they can tightly bind integrase. Moreover, MD simulation revealed Cabotegravir-HTLV-1, Raltegravir-HTLV-1 Elvitegravir-HTLV-1 interactions were stable. It obvious more testing these medicines both clinical trials experimental tests necessary demonstrate their efficacy