In Silico Evaluation of Ocimum tenuiflorum Phytochemicals Against SARS-CoV-2 Main Protease: ADME, PASS, and Docking Studies

Holy basil (Ocimum tenuiflorum) is a medicinal herb native to India and thrives in many parts of the country. Moreover, it is a significant part of Ayurveda, the traditional Indian medical system. This current research aims to assess previous studies that highlight the effectiveness of phytoconstituents from Ocimum tenuiflorum, including eugenol, methyl cinnamate, methyl eugenol and thymol, on the COVID-19 main protease protein. Using pkCSM Web tools, an in silico ADME analysis of these phytochemicals was conducted, providing insights into their Absorption, Distribution, Metabolism, and Excretion properties. Drug likeness was further assessed through PASS analysis. Additionally, molecular docking studies were performed to determine the preferred binding methods. The findings of this study could contribute to developing high-quality and safe medicinal products.