Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic approach for Tackling COVID-19
Arpana Parihar, Zannatul Ferdous Sonia, Farjana Akter, Muhammad Ali, Fuad Taufiqul Hakim, Md. Shahadat Hossain
Topics & Concepts
Computational biologyDocking (animal)ProteaseCoronavirus disease 2019 (COVID-19)Molecular dynamicsSmall moleculeSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)BiologyDrug discoveryAutoDockChemistryVirologyBioinformaticsBiochemistryEnzymeMedicineIn silicoInfectious disease (medical specialty)DiseaseGeneComputational chemistryPathologyNursingComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchToxin Mechanisms and Immunotoxins