Pyrazole-benzimidazole derivatives targeting MCF-7 breast cancer cells as potential anti-proliferative agents. 3D QSAR and In-silico investigations via molecular docking and molecular dynamics simulations
Etibaria Belghalia, Farid Elbamtari, Motasim Jawi, Abdelkrim Guendouzi, Abdelouahid Sbai, M’barek Choukrad, Tahar Lakhlifi, Mohammed Bouachrıne
Topics & Concepts
MCF-7BenzimidazoleIn silicoQuantitative structure–activity relationshipPyrazoleMolecular dynamicsDocking (animal)Computational biologyChemistryCombinatorial chemistryBreast cancerCancerStereochemistryBiologyHuman breastBiochemistryComputational chemistryMedicineOrganic chemistryInternal medicineGeneNursingComputational Drug Discovery MethodsSynthesis and biological activityClick Chemistry and Applications