Novel N-(3-ethynyl Phenyl)-6,7-bis(2-methoxyethoxy)Quinazoline-4-amine Derivatives: Synthesis, Characterization, Anti-cancer Activity, In-silico and DFT Studies


Дәйексөз келтіру

Толық мәтін

Аннотация

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 1H NMR, 13C 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.

Авторлар туралы

Amitananda Dash

, Sri Sathya Sai Institute of Higher Learning

Email: info@benthamscience.net

Guruswamy Vaddamanu

, SVAK Life Sciences

Email: info@benthamscience.net

Raja Karreddula

Department of Chemistry, Rajeev Gandhi Memorial College of Engineering and Technology (Autonomous)

Email: info@benthamscience.net

Surya Manubolu

Department of Chemistry, GITAM University Hyderabad Campus

Email: info@benthamscience.net

Pavana G.

, Sri Sathya Sai Institute of Higher Learning

Хат алмасуға жауапты Автор.
Email: info@benthamscience.net

Naveen Mulakayala

, SVAK Life Sciences

Хат алмасуға жауапты Автор.
Email: info@benthamscience.net

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