Synthesis,Characterization,Biological and Docking Simulations of 4-(Benzylideneamino) Benzoic Acids  

作　　者：HAMID Aziz AAMER Saeed FARUKH Jabeen ABDUL Basit IRFAN Zia Qureshi ABDUL Aziz ATIF Haroon ASHFAQ Ur Rehman 

机构地区：[1]Department of Chemistry Quaid-I-Azam University Islamabad 45320,Pakistan [2]Computation,Science,Research and Development Organization,1401,2485 Hurontraio Street,Mississauga,ON,Ca,L5A2G6 [3]Department of Biology,Laurentian University,935 Ramsey Lake Road,Sudbury,ON,Canada P3E2C6 [4]Department of Animal Sciences Quaid-I-Azam University Islamabad 45320,Pakistan [5]Department of Microbiology Quaid-I-Azam University Islamabad 45320,Pakistan [6]Department of Biochemistry,Shankar Campus,Abdul Wali Khan University,Mardan 23200,Khyber Pukhtoonkhwa,Pakistan [7]Department of Bioinformatics and Biostatistics,Shanghai Jiaotong University,Shanghai 200240,China

出　　处：《Chinese Journal of Structural Chemistry》2021年第3期291-300,271,共11页结构化学（英文）

基　　金：Financial support of the Higher Education Commission(HEC)Pakistan,by awarding indigenous fellowship batch-1 phase-ΙΙfor M.Phil leading to Ph.D。

摘　　要：The present research paper presents the synthesis, characterization, biological and computational studies of 4-(benzylideneamino) benzoic acid derivatives(3a~3g). Derivatives 3a~3c displayed best antidiabetic potential with a glucose-lowering effect compared to the reference drug Glibenclamide. Biochemical parameters including plasma glucose, serum triglycerides, cholesterol, alanine amino transferase and aspartate amino transferase levels showed significant alterations in concentrations relative to the control. Similarly, the derivatives 3a, 3d and 3e displayed potent in vitro antibacterial potential. Molecular docking simulations delineated that the ligands and complexes were stabilized at the active site by electrostatic and hydrophobic forces, consistent with the corresponding experimental results. In silico study of the binding pattern predicted that the synthesized ligands, 3d and 3a could serve as a potential surrogate for hit-to-lead generation and the design of novel antibacterial drugs.

关 键 词：ANTIDIABETIC BIOCHEMICAL CHOLESTEROL GLIBENCLAMIDE simulations 

分 类 号：TQ460.1[化学工程—制药化工]