Novel indole based fused triazole-thiadiazole derivatives as anti-diabetic agents: in vitro and in silico approaches
Year: 2024
Type: article
Abstract: Aim: The current research presents novel library of indole derived fused triazole-thiadiazole derivatives (1–17) for treatment of diabetes mellitus.Methods & results: 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 (1HNMR, 13CNMR 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-10 (IC50 = 1.27 ± 1.25 and 2.18 ± 2.45 μM) bearing para-substituted F atom exhibited the highest potency due to strong inhibitory interactions through hydrogen bonding.Conclusion: This study identifies promising compounds with anti-diabetic activity, paving the way for the treatment of diabetes mellitus.
Source: Future Medicinal Chemistry
Authors: Tayyiaba Iqbal, Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Khurram Shoaib, Rozeena, Masab Saeed, Hany W Darwish
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
Funder: King Saud University
Award: G7608079884
OpenAlex ID: W4404122705