Structural elucidation and in-silico evaluation of 1,2,4-triazole derivative as potent Omicron variant of SARS-CoV-2 spike protein inhibitor with pharmacokinetics ADMET and drug-likeness predictions
Dheeraj Kumar, B.S. Chethan, Veeresha Gowda Shalini, Kanchugarakoppal S. Rangappa, N.K. Lokanath
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryIntermolecular forcevan der Waals forceComputational chemistryCrystal structureDerivative (finance)CrystallographyCovalent bondStereochemistryMoleculeOrganic chemistryEconomicsFinancial economicsSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsPhenothiazines and Benzothiazines Synthesis and Activities