Exploring biological efficacy of novel benzothiazole linked 2,5-disubstituted-1,3,4-oxadiazole hybrids as efficient α-amylase inhibitors: Synthesis, characterization, inhibition, molecular docking, molecular dynamics and Monte Carlo based QSAR studies
Meenakshi Duhan, Prof Parvin Kumar, Jayant Sindhu, Rahul Singh, Meena Devi, Ashwani Kumar, Ramesh Kumar, Sohan Lal
Topics & Concepts
BenzothiazoleQuantitative structure–activity relationshipOxadiazoleMolecular dynamicsDocking (animal)ChemistryMonte Carlo methodCombinatorial chemistryComputational biologyComputational chemistryStereochemistryBiologyBiochemistryOrganic chemistryMedicineMathematicsStatisticsNursingComputational Drug Discovery MethodsClick Chemistry and ApplicationsSynthesis and biological activity