{"title":"Investigation on the Potential of Some N-phenylalkanehydrazides as Superoxide Anion Radical Scavengers and Glutathione Peroxidase Binders\u0000with ADME Prediction: Comparison with Vitamin C","authors":"H. Mouada, T. Lanez","doi":"10.2174/0115734072325272240712114444","DOIUrl":"https://doi.org/10.2174/0115734072325272240712114444","url":null,"abstract":"\u0000\u0000An investigation on the antioxidant activity and ADME properties of some\u0000N-phenylalkanehydrazides (NPhs) in comparison with ascorbic acid was carried out.\u0000\u0000\u0000\u0000The power of the compounds to scavenge the superoxide anion radical\u0000was examined using cyclic voltammetry. Furthermore, molecular docking was used to examine\u0000how NPhs bind to the antioxidant enzyme glutathione peroxidase (GPx). Finally, ADME properties\u0000were predicted using the SwissADME webserver.\u0000\u0000\u0000\u0000The results showed that the studied compounds had significantly higher EC50 values than\u0000Vitamin C and displayed spontaneous binding with GPx with binding energy similar to ascorbic\u0000acid. Also, substantial values emerged from the predictive analysis of drug-likeness and bioavailability\u0000characteristics.\u0000\u0000\u0000\u0000First, the EC50 of the compounds under study was determined by assessing the decrease\u0000in the anodic current peak intensity; this demonstrated significant radical scavenging activity.\u0000Next, the electrostatic way of binding with ROS radical and with antioxidant enzyme was\u0000disclosed by the binding free energies; however, the oxygen and nitrogen atoms in the compounds'\u0000structures might make many conventional hydrogen bonds with amino acids. Finally,\u0000NPh (a) followed all the rules for drug-likeness and bioavailability estimates, making it a promising\u0000moiety for synthesising new antioxidant chemicals.\u0000\u0000\u0000\u0000The current study is a hybrid of experimental and computational methods that complement\u0000each other perfectly.\u0000","PeriodicalId":10772,"journal":{"name":"Current Bioactive Compounds","volume":"23 10","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141816045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}