International Journal on Science and Technology

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Computational Screening of Existing Antagonist Against Human T-Cell Leukemia Virus Type-1 (HTLV-1) by using Molecular Docking Method

Author(s) Deepthy Sane
Country India
Abstract Human T-cell leukemia virus type-1 (HTLV-1) infection continues to pose a significant global health challenge, largely due to the absence of effective and targeted therapeutic options. Drug repurposing has emerged as a promising strategy to accelerate the discovery of novel treatments by leveraging the established safety profiles of existing drugs. In the present study, molecular docking approaches were employed to screen a library of FDA-approved drugs against key molecular targets of HTLV-1, with the aim of identifying potential inhibitory compounds.

Through computational modeling, we identified several compounds exhibiting high binding affinity for key HTLV-1 proteins essential to viral replication and pathogenesis. Our findings highlight several candidates for drug repurposing — including Ribavirin, Oseltamivir, Peramivir, Baloxavir, Vincristine, and Luteolin — which demonstrate robust molecular interactions. Among these Baloxavir is having first stronger affinity followed by Luteolin against HTLV-1. These compounds warrant further in vitro and in vivo validation as potential therapeutic agents for HTLV-1.
Keywords HTLV-1, Molecular Docking, Autodock Vina, CB Dock, Drug Repurposing, Antagonists, In-silico Screening, Antiviral Therapy
Published In Conference / Special Issue (Volume 17 | Issue 1) - One Day National Seminar on “Advances in Life Sciences for Diversity, Applications, and Human Welfare” (ALSDAHW-2025) (March 2026)
Published On 2026-03-16
DOI https://doi.org/10.71097/IJSAT.ALSDAHW-2025.103
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