Design, 3D-QSAR, molecular docking, MD simulations, ADME/Tox properties and DFT study of benzimidazole derivatives as promising α-glucosidase inhibitors
Ayoub Khaldan, Soukaina Bouamrane, Mohamed Ouabane, Reda El-Mernissi, Marwa Alaqarbeh, Radwan Alnajjare, Eda Sönmez Gürer, Savaş Kaya, Hamid Maghat, Mohammed Bouachrıne, Tahar Lakhlifi, Abdelouahid Sbai
Topics & Concepts
ChemistryBenzimidazoleQuantitative structure–activity relationshipADMEComputational chemistryDocking (animal)Molecular dynamicsStereochemistryOrganic chemistryBiochemistryNursingMedicineIn vitroSynthesis and biological activityComputational Drug Discovery MethodsBioactive Compounds and Antitumor Agents