DESIGN, SYNTHESIS OF BIS-TRIAZOLE BASED OXIME ANALOGUES AS ANTIOXIDANT AGENTS AND INSILICO DOCKING STUDIES

A set of bis-triazole-based oxime analogues was designed and synthesized using an efficient click chemistry approach. The in vitro antioxidant potential of these anew synthesized titled compounds was assessed through DPPH and hydrogen peroxide, radical scavenging assays, by means of results were expressed as IC₅₀ values and percentage inhibition. Among the tested derivatives, 4-chloro aryl substituted bis-triazole based oximes exhibited potent antioxidant activity, as shown in both assays, and demonstrated their IC₅₀ values of 2.46 ± 0.22 µM and 2.41 ± 0.29 µM, respectively. Additionally, in silico molecular docking studies were carried out using PDB ID: 2CDU, against the crystal structure of NADPH oxidase. All the synthesized target compounds showed notably favorable docking scores, like binding affinities and H-bond interactions, compared to the reference drug.

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Publication Details

Journal
RASAYAN Journal of Chemistry
Published
2025-01-01
DOI
https://doi.org/10.31788/rjc.2025.1839370
Primary Topic
Synthesis and biological activity
Type
article
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article

DESIGN, SYNTHESIS OF BIS-TRIAZOLE BASED OXIME ANALOGUES AS ANTIOXIDANT AGENTS AND INSILICO DOCKING STUDIES

Jalapathi Pochampally, Umapathi Nalla, A. Shalini, B. Shankar et al.
RASAYAN Journal of Chemistry
Synthesis and biological activity
article

DESIGN, SYNTHESIS OF BIS-TRIAZOLE BASED OXIME ANALOGUES AS ANTIOXIDANT AGENTS AND INSILICO DOCKING STUDIES

Jalapathi Pochampally, Umapathi Nalla, A. Shalini, B. Shankar, Jyothi Kudva
article en

Abstract

A set of bis-triazole-based oxime analogues was designed and synthesized using an efficient click chemistry approach. The in vitro antioxidant potential of these anew synthesized titled compounds was assessed through DPPH and hydrogen peroxide, radical scavenging assays, by means of results were expressed as IC₅₀ values and percentage inhibition. Among the tested derivatives, 4-chloro aryl substituted bis-triazole based oximes exhibited potent antioxidant activity, as shown in both assays, and demonstrated their IC₅₀ values of 2.46 ± 0.22 µM and 2.41 ± 0.29 µM, respectively. Additionally, in silico molecular docking studies were carried out using PDB ID: 2CDU, against the crystal structure of NADPH oxidase. All the synthesized target compounds showed notably favorable docking scores, like binding affinities and H-bond interactions, compared to the reference drug.

RASAYAN Journal of ChemistryVol. 18(03)
Openalex Percentile: Top 87%
Synthesis and biological activity
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DESIGN, SYNTHESIS OF BIS-TRIAZOLE BASED OXIME ANALOGUES AS ANTIOXIDANT AGENTS AND INSILICO DOCKING STUDIES — Jalapathi Pochampally, Umapathi Nalla, et al. · RASAYAN Journal of Chemistry (2025) | TGRS Research Map | TGRS