Design, synthesis, crystal structure, <i>in vitro</i> cytotoxicity evaluation, density functional theory calculations and docking studies of 2-(benzamido) benzohydrazide derivatives as potent AChE and BChE inhibitors
Naghmana Kausar, Shahzad Murtaza, Muhammad Nadeem Arshad, Rahman Shah Zaib Saleem, Abdullah M. Asiri, Samia Kausar, Ataf Ali Altaf, Adina Tatheer, Ashraf Y. Elnaggar, Salah M. El‐Bahy
Abstract
= 0.12 ± 0.09. Meanwhile, compounds 04 and 10 exhibited good anti-oxidant activities, showing % scavenging of 95.06% and 82.55%, respectively. Cytotoxicity studies showed that the synthesized compounds showed cell viability greater than 80%; thus, these compounds can be safely used as drugs. DFT and molecular docking studies also supported the experimental findings.
Topics & Concepts
ChemistryCytotoxicityDocking (animal)In vitroStereochemistryAchéCombinatorial chemistryEnzymeAcetylcholinesteraseBiochemistryMedicineNursingCholinesterase and Neurodegenerative DiseasesComputational Drug Discovery MethodsSynthesis and biological activity