Virtual Screening of Alternative Antiretroviral through Integrase Inhibitor from Curcuma longa L. and Tamarindus indica Compounds Against HIV-1 Infection

Abstract

The development of new drugs with improved efficacy and reduced side effects is of utmost importance to combat the global HIV/AIDS pandemic. In this study, we aimed to explore the potential of natural compounds derived from Curcuma longa L. (turmeric) and Tamarindus indica (tamarind) as alternative antiretroviral agents through the virtual screening of integrase inhibitors. Curcuma longa L. and Tamarindus indica are widely recognized for their medicinal properties and have been traditionally used in various systems of medicine. These plants contain a rich repertoire of bioactive compounds that exhibit a wide range of pharmacological activities, including antiviral effects. By identifying potential integrase inhibitors from natural compounds, we aim to contribute to the discovery of novel antiretroviral agents that could be developed into effective treatments against HIV-1 infection through compoutational simulation. The computational method used in this study is sample preparation in the database and molecular docking to identify the activity of Tamarindus indica and Curcuma longa L. compounds on HIV-1. Tamarindus indica and Curcuma longa L. can be effective HIV-1 antretroviral agents because they have compounds with the most negative binding affinity consisting of Campesterol and Curcumin. Both compounds are predicted to inhibit the HIV-1 integrase enzyme to disrupt the integration of the viral genome in host cells.