Structural elucidation, Hirshfeld surface, DFT, molecular docking and molecular dynamics studies of a novel thiazole derivative as anti-cancer drug
S. Neetha, Chikkappaiahnayaka Santhosh, T.N. Lohith, Kalleshappa Sharath, Sridhar M․A․, Sadashiva M․P․
Topics & Concepts
ChemistryThiazoleMolecular dynamicsDerivative (finance)Docking (animal)StereochemistryDrugComputational chemistryCombinatorial chemistryPharmacologyFinancial economicsEconomicsNursingMedicineSynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsNonlinear Optical Materials Research