Sars-cov-2 host entry and replication inhibitors from Indian ginseng: an <i>in-silico</i> approach
Rupesh V. Chikhale, Shailendra Gurav, Rajesh B. Patil, Saurabh K. Sinha, Satyendra K. Prasad, Anshul Shakya, Sushant K. Shrivastava, Nilambari Gurav, Rupali S. Prasad
Abstract
= -89.42 kcal/mol) as the most promising inhibitor. During MD studies, the molecule optimizes its conformation for better fitting with the receptor active site justifying the high binding affinity. Based on proven therapeutic, that is, immunomodulatory, antioxidant and anti-inflammatory roles and plausible potential against n-CoV-2 proteins, Indian ginseng could be one of the alternatives as an antiviral agent in the treatment of COVID 19. Communicated by Ramaswamy H. Sarma.
Topics & Concepts
Docking (animal)Withania somniferaIn silicoGinsengBiologyBinding siteVirtual screeningChemistryBiochemistryComputational biologyDrug discoveryMedicineGenePathologyAlternative medicineNursingPhytochemicals and Medicinal PlantsAndrographolide Research and ApplicationsComputational Drug Discovery Methods