Identification of natural inhibitors against prime targets of SARS-CoV-2 using molecular docking, molecular dynamics simulation and MM-PBSA approaches
Abhilasha Sharma, Jaykant Vora, Dhaval Patel, Sonam Sinha, Prakash C. Jha, Neeta Shrivastava
Abstract
inhibitor that could be further validated against SARS-CoV-2 for clinical benefits.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
DarunavirADMEDocking (animal)ChemistryComputational biologyProteaseDrugPharmacologyBiochemistryStereochemistryVirologyBiologyEnzymeHuman immunodeficiency virus (HIV)MedicineAntiretroviral therapyViral loadNursingComputational Drug Discovery MethodsAndrographolide Research and ApplicationsMedicinal Plant Research