Novel Indole‐Linked 1,2,3‐Triazole Analogues: Synthesis, Anti‐Tubercular Screening, and Molecular Docking Analysis

ABSTRACT The design and synthesis of novel indole‐linked 1,2,3‐triazole hybrids targeting Mycobacterium tuberculosis (H37Rv). The methods are summarized, highlighting the use of CuAAC reactions for synthesis and characterization via HRMS, NMR, and in vitro anti‐tubercular screening. Key results emphasize the potent activity of para ‐nitro and cyano‐substituted compounds (MIC = 1.56–3.125 μg/mL), comparable to ethambutol, supported by molecular docking studies revealing strong binding interactions with MtbAT protein. The significance of these findings is underscored by their potential to address drug‐resistant TB, with ADMET profiles suggesting promising drug‐like properties.

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Publication Details

Journal
Journal of Heterocyclic Chemistry
Published
2025-09-03
DOI
https://doi.org/10.1002/jhet.70083
Primary Topic
Click Chemistry and Applications
Type
article
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article

Novel Indole‐Linked 1,2,3‐Triazole Analogues: Synthesis, Anti‐Tubercular Screening, and Molecular Docking Analysis

Nagaraju Kerru, Ravikumar Kapavarapu, Mani Sandeep Kumar Mylapalli, Suprapaneni Sirisha et al.
Journal of Heterocyclic Chemistry
Click Chemistry and Applications
article

Novel Indole‐Linked 1,2,3‐Triazole Analogues: Synthesis, Anti‐Tubercular Screening, and Molecular Docking Analysis

Nagaraju Kerru, Ravikumar Kapavarapu, Mani Sandeep Kumar Mylapalli, Suprapaneni Sirisha, Suresh Maddila, Sandeep Kumar Thoota, V. Prasannakumar
article en

Abstract

ABSTRACT The design and synthesis of novel indole‐linked 1,2,3‐triazole hybrids targeting Mycobacterium tuberculosis (H37Rv). The methods are summarized, highlighting the use of CuAAC reactions for synthesis and characterization via HRMS, NMR, and in vitro anti‐tubercular screening. Key results emphasize the potent activity of para ‐nitro and cyano‐substituted compounds (MIC = 1.56–3.125 μg/mL), comparable to ethambutol, supported by molecular docking studies revealing strong binding interactions with MtbAT protein. The significance of these findings is underscored by their potential to address drug‐resistant TB, with ADMET profiles suggesting promising drug‐like properties.

Journal of Heterocyclic ChemistryVol. 62(11)
SRM University, Andhra Pradesh (IN), GITAM University (IN), University of KwaZulu-Natal (ZA)
Openalex Percentile: Top 82%
Click Chemistry and Applications
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Novel Indole‐Linked 1,2,3‐Triazole Analogues: Synthesis, Anti‐Tubercular Screening, and Molecular Docking Analysis — Nagaraju Kerru, Ravikumar Kapavarapu, et al. · Journal of Heterocyclic Chemistry (2025) | TGRS Research Map | TGRS