Synthesis, in vitro α-glucosidase, anti-bacterial, anti-fungal activities and in silico molecular docking studies of benzohydrazide derivatives

• Published in: Chemical Data Collections 2023-12, Vol.48, p.101088, Article 101088
• Main Authors: Ali, Muhammad Mujeeb, Khan, Shoaib, Ullah, Hayat, Ahmad, Irfan, Abid, Obaid Ur Rehman, Hussain, Rafaqat, Khan, Yousaf, Shoaib, Khurram, Ali, Farhan, Assiri, Mohammed A.
• Format: Article
• Language: English
• Subjects: Alpha glucosidase; Anti-microbial; Benzohydrazide; Molecular docking; Synthesis
• ISSN: 2405-8300; 2405-8300
• DOI: 10.1016/j.cdc.2023.101088

In the present study, various alkyl substituted moieties were synthesized (1–15) and characterized through various spectroscopic techniques such as 1HNMR, 13CNMR and HREI-MS. After confirmation, the products were then tested against fungal and bacterial strains in which almost all compounds were found with significant biological potentials. In addition, these compounds were further screened for their α-glucosidase activity in the presence of standard drug acarbose (IC50 = 8.52 ± 0.10 µM). Among the screened, few compounds shown moderate to good inhibitory potential but in this regard compound (1–3) exhibited excellent potential with inhibitory concentration of compound-1 (IC50= 3.12 ± 0.10 µM), compound-2 (IC50= 5.50 ± 0.20 µM) and compound-3 (IC50= 6.20 ± 0.10 µM). Moreover, binding interaction of the most potent moieties with the active site of enzymes was determined through molecular docking study.