3D-QSAR study, docking molecular and simulation dynamic on series of benzimidazole derivatives as anti-cancer agents
L. El Mchichi, Kamal Tabti, Rania Kasmi, Reda El-Mernissi, Abdellah El Aissouq, Fatima En-Nahli, Assia Belhassan, Tahar Lakhlifi, Mohammed Bouachrıne
Topics & Concepts
Quantitative structure–activity relationshipChemistryPharmacophoreBenzimidazoleIn silicoDocking (animal)StereochemistryCombinatorial chemistryLipinski's rule of fiveComputational biologyComputational chemistryOrganic chemistryBiochemistryBiologyMedicineNursingGeneComputational Drug Discovery MethodsSynthesis and biological activityClick Chemistry and Applications