Multi-targeting approach for nsp3, nsp9, nsp12 and nsp15 proteins of SARS-CoV-2 by Diosmin as illustrated by molecular docking and molecular dynamics simulation methodologies
Sumit Kumar, Prem P. Sharma, Charu Upadhyay, Prakasha Kempaiah, Brijesh Rathi, Poonam Poonam
Topics & Concepts
In silicoComputational biologyDocking (animal)Virtual screeningMolecular dynamicsDrugChemistryDrug discoverySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)Target proteinBiochemistryPharmacologyBiologyComputational chemistryMedicineNursingDiseasePathologyInfectious disease (medical specialty)GeneComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchSynthesis and biological activity