Efficient synthesis, dual anti-tubercular and antioxidant activity of triazole-acetophenone derivatives: enhanced efficacy via esterification and quantum mechanical validation of CYP121 binding

Rahul A. Jagtap; Bapu S. Jagdale; Sunil L. Dhonnar; Samin A. Shaikh; Rahul A. More; Rajasekhar Reddy Alavala; Ghazala Muteeb; Dennys Fernández-Conde; Tushar Janardan Pawar; Rohan J. Meshram; Jesica Escobar-Cabrera; Santosh S. Chobe

doi:10.1039/d5ra09368f

January 1, 2026RSC AdvancesOpen Access

Efficient synthesis, dual anti-tubercular and antioxidant activity of triazole-acetophenone derivatives: enhanced efficacy via esterification and quantum mechanical validation of CYP121 binding

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Key Points

The study aims to synthesize triazole-based acetophenone derivatives with anti-tubercular and antioxidant properties.
Synthesis of twelve triazole-acetophenone derivatives using catalyst-free cycloaddition.
Evaluation of anti-tubercular activity against tuberculosis.
Assessment of antioxidant properties through appropriate assays.
Quantum mechanical validation of CYP121 binding sites.
Eleven derivatives exhibited significant anti-tubercular activity, with select compounds showing enhanced effects.
All synthesized compounds demonstrated antioxidant activity.
Quantum mechanical analysis confirmed effective binding with CYP121.

Implication

Novel triazole-acetophenone derivatives demonstrate dual anti-tubercular and antioxidant activity, suggesting effective treatments for tuberculosis.

Abstract

Twelve novel triazole-based acetophenone derivatives (3a–3f, 4a–4f) synthesized via catalyst-free cycloaddition integrate a CYP121 inhibiting scaffold with dual anti-tubercular and antioxidant properties.

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Cite This Study

Jagtap et al. (2026) studied this question.

synapsesocial.com/papers/696b2616d2a12237a9349654 https://doi.org/10.1039/d5ra09368f

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Efficient synthesis, dual anti-tubercular and antioxidant activity of triazole-acetophenone derivatives: enhanced efficacy via esterification and quantum mechanical validation of CYP121 binding

Key Points

Implication

Abstract

Discussion

Cite This Study

Efficient synthesis, dual anti-tubercular and antioxidant activity of triazole-acetophenone derivatives: enhanced efficacy via esterification and quantum mechanical validation of CYP121 binding

Key Points

Implication

Abstract

Discussion

Cite This Study

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