Synthesis and characterization of novel thiazole derivatives as potential anticancer agents: Molecular docking and DFT studies

Computational Toxicology, Год журнала: 2021, Номер 21, С. 100202 - 100202

Опубликована: Ноя. 1, 2021

Язык: Английский

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Designing strategies, structural activity relationship and biological activity of recently developed nitrogen containing heterocyclic compounds as epidermal growth factor receptor tyrosinase inhibitors

Journal of Molecular Structure, Год журнала: 2023, Номер 1291, С. 136021 - 136021

Опубликована: Июнь 16, 2023

Язык: Английский

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Synthesis, molecular docking study and anticancer activity of novel 1,3,4-oxadiazole derivatives as potential tubulin inhibitors

Heliyon, Год журнала: 2023, Номер 9(2), С. e13460 - e13460

Опубликована: Фев. 1, 2023

The current study reports on the synthesis and anticancer efficacy of novel oxadiazole derivatives (8a-f) as tubulin polymerization inhibitors. NMR, mass, elemental studies were used to confirm newly produced compounds. In contrast conventional medicine colchicine, compounds 8e 8f demonstrated stronger sensitivity improved IC50 values in range 3.19–8.21 μM against breast MCF-7, colorectal HCT116, liver HepG2 cancer cell lines. target tested for enzymatic activity enzyme. Compounds shown have most effective inhibitory action among new compounds, with 7.95 9.81 nM, respectively. As compared reference drug, molecular docking investigations developed revealed crucial hydrogen bonding addition hydrophobic interaction at binding site, assisting prediction structural requirements found activity. These findings indicate that 1,3,4-oxadizole scaffold has potential future research into medicines.

Язык: Английский

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Synthesis, biological evaluation and molecular docking studies of new pyrimidine derivatives as potent dual EGFR/HDAC inhibitors

Journal of Molecular Structure, Год журнала: 2024, Номер 1309, С. 138223 - 138223

Опубликована: Апрель 3, 2024

Язык: Английский

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Efficient synthesis and molecular docking analysis of quinazoline and azole hybrid derivatives as promising agents for anti-cancer and anti-tuberculosis activities

Journal of Molecular Structure, Год журнала: 2024, Номер 1310, С. 138289 - 138289

Опубликована: Апрель 9, 2024

Язык: Английский

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Design, synthesis and molecular docking studies of imidazole and benzimidazole linked ethionamide derivatives as inhibitors of InhA and antituberculosis agents

Bioorganic & Medicinal Chemistry Letters, Год журнала: 2022, Номер 60, С. 128604 - 128604

Опубликована: Фев. 2, 2022

Язык: Английский

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Experimental and theoretical examinations of triazole linked saccharin derivatives as organic corrosion inhibitors for mild steel in hydrochloric acid

Journal of Molecular Structure, Год журнала: 2022, Номер 1275, С. 134603 - 134603

Опубликована: Ноя. 21, 2022

Язык: Английский

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Design and synthesis of novel benzimidazole linked thiazole derivatives as promising inhibitors of drug-resistant tuberculosis

Journal of Molecular Structure, Год журнала: 2022, Номер 1269, С. 133822 - 133822

Опубликована: Июль 28, 2022

Язык: Английский

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Synthesis, anticancer activity and molecular docking of new pyrazolo[1,5-a]pyrimidine derivatives as EGFR/HER2 dual kinase inhibitors

Journal of Molecular Structure, Год журнала: 2023, Номер 1289, С. 135877 - 135877

Опубликована: Май 27, 2023

Язык: Английский

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Development of penipanoid C-inspired 2-benzoyl-1-methyl-2,3-dihydroquinazolin-4(1H)-one derivatives as potential EGFR inhibitors: Synthesis, anticancer evaluation and molecular docking study

Journal of Molecular Structure, Год журнала: 2022, Номер 1258, С. 132674 - 132674

Опубликована: Фев. 21, 2022

Язык: Английский

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