Molecular docking of eleven snake venom peptides targeting human immunodeficiency virus capsid glycoprotein as inhibitors

Background: Snake venoms are mainly composed of a mixture of proteins and peptides with antiviral activity against several viruses including HIV. Therefore, snake venoms represent promising source for new antiviral drugs. Aim: The study examines the toxin's capacity to disrupt the spike glycoprotein of HIV, the virus accountable for the HIV epidemic. Methods: The active protein structure of HIV and snake toxins was derived from the protein RCSB-PDB. The interactions between this toxin and the spike protein were evaluated using molecular docking software/interface such as 'Cluspro 2' and analyzers such as 'PyMOL' and 'Ligplot'. The objective was to identify potential pharmacophores that could be used as a basis for future drug development. Results: The latest study findings uncover fascinating affinities and interaction patterns between snake poisons and the HIV spike glycoprotein. We analyzed the consequences of these interactions and their capacity to impair viral entry and infection. Conclusion: This work highlights a prospective approach for the advancement of antiviral treatments, utilizing nature's collection of toxins as a basis for pharmacophore-based medication exploration against viral infections. [Open Vet J 2024; 14(11.000): 2936-2949]