Multi-complex pharmacophore mapping for the repurposing of FDA drugs as HTLV-1 protease inhibitors: Toward novel anti-HTLV-1 therapeutics.
A multi-complex pharmacophore mapping approach was employed to explore the structural proteome of the HTLV-1 PR systematically, and the FDA-approved drug DB_FDA_1647 (Eliglustat) emerged as the most promising candidate, exhibiting favorable binding affinity, stable intermolecular interactions, and consistent structural...