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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

2022Journal of Molecular Modeling82 citationsDOI

Topics & Concepts

BenzimidazoleQuantitative structure–activity relationshipMolecular dynamicsChemistryDocking (animal)In silicoPharmacophoreMoleculeStereochemistryCombinatorial chemistryComputational chemistrySmall moleculeMolecular modelBiochemistryOrganic chemistryGeneMedicineNursingComputational Drug Discovery MethodsClick Chemistry and ApplicationsSynthesis and biological activity
Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies | Litcius