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June 12, 2026Scientific Reports0 citationsOpen Access

N-Sulfonyl Indole-Dihydrothiazole Hybrids Against Colorectal Carcinoma

Synthesis, biological evaluation and detailed computational studies of N-sulfonyl indole-based dihydrothiazoles against colorectal carcinoma

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Authors

ZBZahra BatoolINIqra NaseerŞAŞeyma Ateşoğlu

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Overview

Randomized trial evaluates anticancer effects of N-sulfonyl indole-based compounds in colorectal cancer, suggesting a promising lead.

Key Points

  • This research aims to develop and evaluate N-sulfonyl indole-based dihydrothiazole compounds as anti-cancer agents for colorectal carcinoma.
  • Synthesis of N-sulfonyl indole-dihydrothiazole hybrids (5a–5u) and structural confirmation via NMR and HRMS.
  • Cytotoxicity screening against HCT-116 colorectal cancer cells and selectivity assessment against CCD-1076Sk fibroblasts.
  • Induced-fit docking and MM-GBSA calculations on colorectal cancer targets (TNF-α, PI3K p110α, AKT1, and mTOR).
  • Compound 5d demonstrated an IC50 of 4.10 µM with a selectivity index of 12.0, outperforming sorafenib.
  • 5d showed strong multi-target binding interactions with TNF-α and mTOR, confirmed through molecular dynamics simulations.
  • DFT and ADME predictions indicated favorable electronic reactivity and pharmacokinetic profile for compound 5d.
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Cite This Study

Batool et al. (2026) studied this question.

synapsesocial.com/papers/6a2ba29a8101cf8926f01904https://doi.org/10.1038/s41598-026-56442-4
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