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Vol. 37 No. 3 (2025): Vol 37 Issue 3, 2025

Copyright (c) 2025 DIMPLE PIRGAL, SS Karki, S Kumar, Dr Basavaraj Metikurki

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Synthesis, in silico ADME, Molecular Docking and in vitro Cytotoxicity Evaluation of Indolin-2-one linked Stilbene Derivatives

https://doi.org/10.14233/ajchem.2025.33334
Dimple Pirgal
Department of Pharmaceutical Chemistry, KLE College of Pharmacy, 2nd Block, Rajajinagar, Bengaluru-560010, India; Dr. Prabhakar B. Kore Basic Science Research Centre (Off Campus), KLE College of Pharmacy, 2nd Block, Rajajinagar, Bengaluru-560010, India
https://orcid.org/0000-0001-7565-674X
Subhas S. Karki
Department of Pharmaceutical Chemistry, KLE College of Pharmacy, 2nd Block, Rajajinagar, Bengaluru-560010, India; Dr. Prabhakar B. Kore Basic Science Research Centre (Off Campus), KLE College of Pharmacy, 2nd Block, Rajajinagar, Bengaluru-560010, India
https://orcid.org/0000-0002-5599-3594
Sujeet Kumar
Department of Pharmaceutical Chemistry, Nitte College of Pharmaceutical Sciences, Nitte (Deemed to be University), Govindapura, Gollahalli, Yelahanka, Bengaluru-560064, India
https://orcid.org/0000-0002-0833-158X
Basavraj Metikurki
Department of Pharmaceutical Chemistry, Nitte College of Pharmaceutical Sciences, Nitte (Deemed to be University), Govindapura, Gollahalli, Yelahanka, Bengaluru-560064, India

Corresponding Author(s) : Dimple Pirgal

dimplepirgal@gmail.com

Asian Journal of Chemistry, Vol. 37 No. 3 (2025): Vol 37 Issue 3, 2025

Abstract

Considering the potential of stilbene derivatives as biologically active frameworks in cancer research, the synthesis of several indole-2-one linked stilbenes was proposed as evaluate their cytotoxic effects on cancer cells. To develop some indole-2-one linked stilbene analogs as lead molecule against cancer, novel indole-2-one linked derivatives (BK 1-11) were synthesized by reacting 4-formyl-trans-stilbene with 2-oxindole in methanol. The structural characterizations were performed by FTIR, NMR and mass techniques. Molecular docking was performed on the Janus kinase 2 (JAK2) receptor (Pdb ID: 4Z32), with binding energies expressed in kcal/mol. All the synthesized compounds were screened for their cytotoxicity against MCF, HCT116 and HeLa cells taking 5-fluorouracil (5-FU) and resveratrol as reference. Among tested derivatives, compound BK-6 was found to be most potent against all the three cell lines with IC50 of 48-64 µM and 49.92% cell viability after 72 h of treatment. A low to moderate aqueous solubility was predicted by Swiss-ADME web-tool. The docking score and cytotoxicity data suggest compound BK-6 as a potential molecule against MCF cancer cells. However, further biological studies require to support the cytotoxicity and in silico results.

Keywords

Stilbene Indole Cytotoxicity Cell lines JAK-2
Pirgal, D., Karki, S. S., Kumar, S., & Metikurki, B. (2025). Synthesis, in silico ADME, Molecular Docking and in vitro Cytotoxicity Evaluation of Indolin-2-one linked Stilbene Derivatives. Asian Journal of Chemistry, 37(3), 737–744. https://doi.org/10.14233/ajchem.2025.33334
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