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DOI: 10.1055/a-2595-8088
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Small Molecules in Medicinal Chemistry

Exploring Tetrahydroquinoline Derivatives: A New Frontier in Cancer Treatment

Suman K. Shaw‡
a   Department of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad 382481, India
,
Rajdeep Dey‡
a   Department of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad 382481, India
,
Ruchi Yadav
a   Department of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad 382481, India
,
Aliasgar Baldiwala
b   Institute of Pharmacy, Nirma University, Ahmedabad 382481, India
,
Manan Patel
b   Institute of Pharmacy, Nirma University, Ahmedabad 382481, India
,
Bhumika D. Patel
a   Department of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad 382481, India
,
Hardik G. Bhatt
a   Department of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad 382481, India
,
Gopal Natesan
a   Department of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad 382481, India
,
Abhishek Jha
c   Department of Internal Medicine, Roy J. and Lucille A. Carver College of Medicine, University of Iowa, Iowa City, IA 52242, USA
,
Udit Chaube  ∗
a   Department of Pharmaceutical Chemistry, Institute of Pharmacy, Nirma University, Ahmedabad 382481, India
› Author Affiliations
This work was supported by the Minor Research Project IPNU/2024-26/144 funded by Nirma University, Ahmedabad, India.
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Abstract

Tetrahydroquinoline derivatives are emerging as promising anticancer agents due to their versatile biological activities. In this study, we designed, synthesized, and evaluated six novel tetrahydroquinoline derivatives with anticancer potential. The compounds were synthesized by nitration, benzoylation, and reduction, achieving high yields and structural diversity. Molecular-docking studies on the mTOR protein (PDB ID: 4JT6) revealed strong binding affinities, with key interactions at active-site residues. Molecular dynamics simulations in GROMACS (50 ns) confirmed the stability of the compound–protein complexes. In vitro cytotoxicity assays against A549, MDA-MB-231, and MCF-7 cancer cell lines showed potent activities, with one product displaying an IC50 o

Key words

anticancer drugs - tetrahydroquinolines - molecular docking

Supporting Information

    Supporting information for this article is available online at https://doi.org/10.1055/a-2595-8088.
  • Supporting Information


Publication History

Received: 27 February 2025

Accepted after revision: 28 April 2025

Accepted Manuscript online:
28 April 2025

Article published online:
12 June 2025

© 2025. Thieme. All rights reserved

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