Exploration of Novel Lichen Compounds as Inhibitors of SARS-CoV-2 Mpro: Ligand-Based Design, Molecular Dynamics, and ADMET Analyses
Amit Gupta, Niharika Sahu, Ashish P. Singh, Vinay Kumar Singh, Suresh C. Singh, Vijay Jagdish Upadhye, Alen T. Mathew, Rajnish Kumar, Rajeshwar P. Sinha
Topics & Concepts
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)Computational biologyLigand (biochemistry)ChemistryMolecular dynamics2019-20 coronavirus outbreakStereochemistryBiologyBiochemistryVirologyMedicineComputational chemistryReceptorInfectious disease (medical specialty)DiseasePathologyOutbreakLichen and fungal ecologyComputational Drug Discovery Methods