3D-QSAR modeling, molecular docking and ADMET properties of benzothiazole derivatives as α-glucosidase inhibitors
Ayoub Khaldan, Soukaina Bouamrane, Reda El-Mernissi, Hamid Maghat, Mohammed Aziz Ajana, Abdelouahid Sbai, Mohammed Bouachrıne, Tahar Lakhlifi
Topics & Concepts
BenzothiazoleAcarboseQuantitative structure–activity relationshipDocking (animal)ChemistryStereochemistryTraining setProtein Data Bank (RCSB PDB)Combinatorial chemistryComputational biologyBiochemistryEnzymeComputer scienceBiologyMedicineArtificial intelligenceNursingComputational Drug Discovery MethodsNatural Antidiabetic Agents StudiesSynthesis and biological activity