title: Insights on the antioxidant potential of 1, 2, 4-triazoles: synthesis, screening & QSAR studies.
abstract: The aligned manuscript reports synthesis, screening and QSAR analysis of twenty six 1, 2, 4-triazole analogues from their respective aromatic carboxylic acids. The structures of synthesized analogues were characterized using physical and spectral analysis. 1, 2, 4-Triazole analogs antioxidant capacity was determined using DPPH radical scavenging assay. Results revealed that out of L, T & VRT series, VRT series of 1, 2, 4-triazoles have significant antioxidant activities when compared with standard ascorbic acid. To obtain structural insights for development of new antioxidants a 2D-QSAR analysis of this dataset of 26 molecules was performed. The 2D-QSAR models correlate with the in vitro results and explain the salient structural features predominant in the molecules responsible for antioxidant activity.
authors.forename: Sateesh
authors.initials: S
authors.lastname: Pokuri
authors.forename: Rajeev K
authors.initials: RK
authors.lastname: Singla
authors.forename: Varadaraj G
authors.initials: VG
authors.lastname: Bhat
authors.affiliation: Division of Biotechnology, Netaji Subhas Institute of Technology, Sector-3, Dwarka, New Delhi- 110078, India. rajeevsingla26@gmail.com.
authors.forename: Gautham G
authors.initials: GG
authors.lastname: Shenoy
mesh_terms: D000975:Antioxidants / Q000138:chemical synthesis / Q000737:chemistry*; D001713:Biphenyl Compounds / Q000737:chemistry; D005609:Free Radicals / Q000737:chemistry; D010851:Picrates / Q000737:chemistry; D021281:Quantitative Structure-Activity Relationship; D014230:Triazoles / Q000138:chemical synthesis / Q000737:chemistry*
chemical_list: D000975:Antioxidants; D001713:Biphenyl Compounds; D005609:Free Radicals; D010851:Picrates; D014230:Triazoles; C004931:1,1-diphenyl-2-picrylhydrazyl