Design, synthesis, and biological evaluation of 1,2,4-oxadiazole-based derivatives as multitarget anti-Alzheimer agents
Mohammed Salah Ayoup, Mohamed Reda Barakat, Hamida Abdel‐Hamid, Ehab Emam, Yasair S. Al‐Faiyz, Aliaa A. Masoud, Doaa A. Ghareeb, Amr Sonousi, Asmaa E. Kassab
Abstract
= 265.85 μM). The prominent interactions of the compounds with the AChE active site can be used to computationally explain the high AChE inhibitory activity. The results unveiled 1,2,4-oxadiazole derivatives 2c and 3a as multitarget anti-AD agents. The predicted ADME properties for compounds 2b and 4a were satisfactory, and 4a had the highest likelihood of crossing the blood-brain barrier (BBB), making it the optimum compound for future optimization.
Topics & Concepts
Combinatorial chemistryOxadiazoleChemistryPharmacologyComputer scienceMedicineOrganic chemistryCholinesterase and Neurodegenerative DiseasesComputational Drug Discovery MethodsSynthesis and biological activity