Computational investigation of benzalacetophenone derivatives against SARS-CoV-2 as potential multi-target bioactive compounds
Pukar Khanal, Vishal S. Patil, Vishwambhar V. Bhandare, Prarambh S. R. Dwivedi, C.S. Shastry, B. M. Patil, Shailendra Gurav, Darasaguppe R. Harish, Subarna Roy
Topics & Concepts
AutoDockProteaseChemistryDocking (animal)Molecular dynamicsMolecular mechanicsStereochemistryBiochemistryEnzymeComputational chemistryIn silicoMedicineGeneNursingComputational Drug Discovery MethodsSynthesis and biological activityBioactive Compounds and Antitumor Agents