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Insights on the Antioxidant Potential of 1, 2, 4-Triazoles: Synthesis, Screening & QSAR Studies

[ Vol. 15 , Issue. 4 ]

Author(s):

Sateesh Pokuri, Rajeev K. Singla, Varadaraj G. Bhat and Gautham G. Shenoy   Pages 389 - 397 ( 9 )

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.

Keywords:

1, 2, 4-Triazoles, Antioxidant activity, DPPH radical assay, 2D-QSAR.

Affiliation:

Division of Biotechnology, Netaji Subhas Institute of Technology, Sector-3, Dwarka, New Delhi- 110078, India.



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