Smita P. Khare , Tejshri R. Deshmukh , Jaiprakash N. Sangshetti , Vijay M. Khedkar , Bapurao B. Shingate
{"title":"1,2,3-Triazolyl Phenylhydrazones as Antioxidant Agents: An Ultrasound Promoted Catalyst-Free Synthesis and Molecular Docking Study","authors":"Smita P. Khare , Tejshri R. Deshmukh , Jaiprakash N. Sangshetti , Vijay M. Khedkar , Bapurao B. Shingate","doi":"10.1080/10406638.2024.2309358","DOIUrl":null,"url":null,"abstract":"<div><div>An efficient, ultrasound assisted catalyst-free, green protocol has been developed for the synthesis of 1,2,3-triazolyl phenylhydrazone derivatives under environmentally benign condition. The antioxidant activity for all the synthesized derivatives were evaluated <em>in vitro</em> by using 1,1-diphenylpicrylhydrazyl (DPPH) radical scavenging method. The compounds <strong>6a</strong>, <strong>6e</strong>, <strong>6f</strong>, and <strong>6i</strong> were shows an excellent antioxidant activity than the standard drug butylated hydroxy toluene with IC<sub>50</sub> values in the range 12.03 ± 0.11–14.07 ± 0.31 µg/mL. Molecular docking study was also performed to elaborate their possible interactions with <em>Myeloperoxidase</em> enzyme. Furthermore, <em>in silico</em> ADME properties for all the compounds were also studied.</div></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":"44 10","pages":"Pages 6885-6902"},"PeriodicalIF":2.4000,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Polycyclic Aromatic Compounds","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S1040663824000022","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ORGANIC","Score":null,"Total":0}
引用次数: 0
Abstract
An efficient, ultrasound assisted catalyst-free, green protocol has been developed for the synthesis of 1,2,3-triazolyl phenylhydrazone derivatives under environmentally benign condition. The antioxidant activity for all the synthesized derivatives were evaluated in vitro by using 1,1-diphenylpicrylhydrazyl (DPPH) radical scavenging method. The compounds 6a, 6e, 6f, and 6i were shows an excellent antioxidant activity than the standard drug butylated hydroxy toluene with IC50 values in the range 12.03 ± 0.11–14.07 ± 0.31 µg/mL. Molecular docking study was also performed to elaborate their possible interactions with Myeloperoxidase enzyme. Furthermore, in silico ADME properties for all the compounds were also studied.
期刊介绍:
The purpose of Polycyclic Aromatic Compounds is to provide an international and interdisciplinary forum for all aspects of research related to polycyclic aromatic compounds (PAC). Topics range from fundamental research in chemistry (including synthetic and theoretical chemistry) and physics (including astrophysics), as well as thermodynamics, spectroscopy, analytical methods, and biology to applied studies in environmental science, biochemistry, toxicology, and industry. Polycyclic Aromatic Compounds has an outstanding Editorial Board and offers a rapid and efficient peer review process, as well as a flexible open access policy.