Novel N-(3-ethynyl Phenyl)-6,7-bis(2-methoxyethoxy)Quinazoline-4-amine Derivatives: Synthesis, Characterization, Anti-cancer Activity, In-silico and DFT Studies.
| Autor: | Dash A; Sri Sathya Sai Institute of Higher Learning, Anantapur, 500 001, Andhra Pradesh, India., Vaddamanu G; SVAK Life Sciences, ALEAP Industrial Area, 500090, Hyderabad, India., Karreddula R; Department of Chemistry, Rajeev Gandhi Memorial College of Engineering and Technology (Autonomous), Andhra Pradesh State, Kurnool Dist, Nandyal, 518501, India., Manubolu SSB; Department of Chemistry, GITAM University Hyderabad Campus, Hyderabad, Telangana, 502 329, India., Kumari GP; Sri Sathya Sai Institute of Higher Learning, Anantapur, 500 001, Andhra Pradesh, India., Mulakayala N; SVAK Life Sciences, ALEAP Industrial Area, 500090, Hyderabad, India. |
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| Jazyk: | angličtina |
| Zdroj: | Anti-cancer agents in medicinal chemistry [Anticancer Agents Med Chem] 2024; Vol. 24 (7), pp. 514-532. |
| DOI: | 10.2174/0118715206276286231220055233 |
| Abstrakt: | Background: Cancer is one of the most common reasons for mortality in the world. A continuous effort to develop effective anti-cancer drugs with minimum side effects has become necessary. The use of small-molecule drugs has revolutionized cancer research by inhibiting cancer cell survival and proliferation. Quinazolines are a class of bioactive heterocyclic compounds with active pharmacophores in several anti-cancer drugs. Such small molecule inhibitors obstruct the significant signals responsible for cancer cell development, thus blocking these cell signals to prevent cancer development and spread. Objective: In the current study, novel quinazoline derivatives structurally similar to erlotinib were synthesized and explored as novel anti-cancer agents. Methods: All the synthesized molecules were confirmed by spectroscopic techniques like 1 H NMR, 13 C NMR, and ESI-MS. Various techniques were applied to study the protein-drug interaction, DFT analysis, Hirshfeld surface, and target prediction. The molecules were screened in vitro for their anti-cancer properties against 60 human tumor cell lines. The growth inhibitory properties of a few compounds were studied against the MCF7 breast cancer cell line. Results: The activity of compounds 9f, 9o, and 9s were found to be active. However, compound 9f is more active when compared with other compounds. Conclusion: Some synthesized compounds were active against different cancer cell lines. The in-vitro study results were found to be in agreement with the predictions from in-silico data. The selected molecules were further subjected to get the possible mechanism of action against different cancer cells. (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.) |
| Databáze: | MEDLINE |
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