Novel indole based fused triazole-thiadiazole derivatives as anti-diabetic agents: <i>in vitro</i> and <i>in silico</i> approaches

<b>Aim:</b> The current research presents novel library of indole derived fused triazole-thiadiazole derivatives (1-17) for treatment of diabetes mellitus.<b>Methods & results:</b> These compounds were synthesized by treating 2-(1H-indol-3-yl)acetic acid with hydrazinecarbothiohydrazide followed by treating the resultant compound with substituted benzoic acid. Structural validation was achieved spectroscopically (<sup>1</sup>HNMR, <sup>13</sup>CNMR and HREI-MS). The synthesized compounds were subjected to biological evaluation to assess their potential as anti-diabetic. Molecular docking study was employed to investigate the binding interactions of these analogs with relevant proteins. ADMET analysis was used to predict their drug-like properties. Notably, compound-<b>10</b> (IC<sub>50</sub> = <b>1.27 ± 1.25</b> and <b>2.18 ± 2.45</b> μM) bearing <i>para</i>-substituted F atom exhibited the highest potency due to strong inhibitory interactions through hydrogen bonding.<b>Conclusion:</b> This study identifies promising compounds with anti-diabetic activity, paving the way for the treatment of diabetes mellitus.

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Publication Details

Journal
Future Medicinal Chemistry
Published
2024-11-07
DOI
https://doi.org/10.1080/17568919.2024.2419355
Citations
7
Primary Topic
Click Chemistry and Applications
Type
article
Field-Weighted Citation Impact
1.75

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article

Novel indole based fused triazole-thiadiazole derivatives as anti-diabetic agents: in vitro and in silico approaches

Mesha Saeed, Rafaqat Hussain, Khurram Shoaib, Shoaib Khan et al.
7 citations
Future Medicinal Chemistry
Click Chemistry and Applications
1.75
article

Novel indole based fused triazole-thiadiazole derivatives as anti-diabetic agents: in vitro and in silico approaches

Mesha Saeed, Rafaqat Hussain, Khurram Shoaib, Shoaib Khan, Yousaf Khan, Hany W. Darwish, Tayyiaba Iqbal, Rozeena
article en
7 citations

Abstract

<b>Aim:</b> The current research presents novel library of indole derived fused triazole-thiadiazole derivatives (1-17) for treatment of diabetes mellitus.<b>Methods & results:</b> These compounds were synthesized by treating 2-(1H-indol-3-yl)acetic acid with hydrazinecarbothiohydrazide followed by treating the resultant compound with substituted benzoic acid. Structural validation was achieved spectroscopically (<sup>1</sup>HNMR, <sup>13</sup>CNMR and HREI-MS). The synthesized compounds were subjected to biological evaluation to assess their potential as anti-diabetic. Molecular docking study was employed to investigate the binding interactions of these analogs with relevant proteins. ADMET analysis was used to predict their drug-like properties. Notably, compound-<b>10</b> (IC<sub>50</sub> = <b>1.27 ± 1.25</b> and <b>2.18 ± 2.45</b> μM) bearing <i>para</i>-substituted F atom exhibited the highest potency due to strong inhibitory interactions through hydrogen bonding.<b>Conclusion:</b> This study identifies promising compounds with anti-diabetic activity, paving the way for the treatment of diabetes mellitus.

Future Medicinal ChemistryVol. 16(23)
COMSATS University Islamabad (PK), Hunan University (CN), Hazara University (PK), King Saud University (SA), Abbottabad University of Science and Technology (PK), University of Malakand (PK)
King Saud University
Openalex Percentile: Top 16%
Click Chemistry and Applications
1.75
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