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Background: Coronavirus disease (COVID-19) is an infectious disease caused by newly discovered coronavirus SARS-CoV-2 (Severe acute respiratory syndrome coronavirus-2). Ardraka (Zingiber officinale) and Pippali (Piper longum) are two medicinal plants used in the Indian system of medicines for respiratory disorders.
Objective: The objective of the present study was to discover whether the phytoconstituents present in Ardraka and Pippali have potential against SARS-CoV-2 through structure-based in-silico study.
Materials and Methods: The structure of the target protein SARS-CoV-2 retrieved from the Protein databank and all the phytoconstituents present in both the plants are screened for Lipinski rule of five through SWISS ADME filter. After that, protein-ligand docking was performed using Pyrx AutoDock wizard with MGL tools 1.5.6 by using a genetic algorithm, and visualization is done using UCSF chimera. Results: All the molecules have shown binding energy ranges from -3.30 kcal/mol to -6.20 kcal/mol in Ardraka and -4.80kcal/mol to -6.90kcal/mol in Pippali. Smaller binding energy value shows stronger interaction. Conclusion: It can be concluded that bioactive present in Ardraka and Pippali could be an effective inhibitor against the SARS-CoV-2