A Molecular Docking Study of the Active Compounds of Rosa Damascena with COVID-19: An-In Silico Study

Essential oils have shown promise as antiviral agents against several pathogenic viruses. In this work we hypothesized that essential oil components may interact with key protein targets of the 2019 severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Molecular docking technique was performed to investigate the probable interactions between two major components of essential oils of Rosa Damascena, geraniol and citronellol, with SARS-CoV-2. From various studies on the SARS-CoV-2 UHSRUWHG LQ the literature, ACE2 receptor with spike RBD has selected as possible drug target. Geraniol and citronellol displayed docking scores of -5.53 kcal/mol and -5.12 kcal/mol respectively.

کلیدواژه ها:

Covid-19 ، Rosa Damascena ، geraniol ، citronellol ، molecular docking