Research Information System
13th International Drug Chemistry Congress, Antalya, Turkey, 6 - 09 February 2025, pp.116
HIV infection, characterized by immune system suppression leading to acquired immunodeficiency syndrome (AIDS), remains a significant global health concern. Among the two types, HIV-1 is the more prevalent and poses a greater threat worldwide. Current therapeutic strategies primarily target key enzymes such as reverse transcriptase (RT) and protease (PR). However, the effectiveness of these treatments is often undermined by mutation-driven resistance, toxicity, and adverse effects, emphasizing the need for novel therapeutic approaches. The present study investigates the potential of amygdalin, a naturally occurring cyanogenic glycoside found in the seeds of fruits such as apricots, almonds, cherries, and peaches, as anHIV-1 RT inhibitor. The binding poses of amygdalin within the nevirapine-binding pocket of the 3D crystal structure of HIV-1 RT were analyzed through molecular docking. Despite requiring higher binding energies compared to the reference compound nevirapine, amygdalin demonstrated significant inhibitory potential (-7.87 kcal/mol) and formed important interactions. Subsequent in vitro experiments assessed the inhibitory activity of amygdalin against HIV-1 RT using the ELISA method, supporting the in silico findings. Although the need for higher doses of amygdalin compared to nevirapine is a limitation, the demonstrated inhibitory effect positions it as a promising lead compound for the development of the next generation of HIV-1 RT inhibitors. These findings support further investigation and optimization of amygdalin as a potential therapeutic agent in HIV-1 treatment.