Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies
Oussama Abchır, Ossama Daouı, Salah Belaıdı, Mebarka Ouassaf, Faizan Abul Qais, Souad Elkhattabi, Saïd Belaaouad, Samir Chtita
Topics & Concepts
BenzimidazoleQuantitative structure–activity relationshipMolecular dynamicsChemistryDocking (animal)In silicoPharmacophoreMoleculeStereochemistryCombinatorial chemistryComputational chemistrySmall moleculeMolecular modelBiochemistryOrganic chemistryGeneMedicineNursingComputational Drug Discovery MethodsClick Chemistry and ApplicationsSynthesis and biological activity