From lab to nature: Recent advancements in the journey of gastroprotective agents from medicinal chemistry to phytotherapy

European Journal of Medicinal Chemistry, Год журнала: 2024, Номер 272, С. 116436 - 116436

Опубликована: Апрель 23, 2024

Язык: Английский

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Efficient Protocol for Novel Hybrid Pyrimidines Synthesis: Antiproliferative Activity, DFT Analyses, and Molecular Docking Studies

ACS Omega, Год журнала: 2023, Номер 8(49), С. 47239 - 47253

Опубликована: Дек. 1, 2023

An efficient, microwave/ultrasound-irradiated synthesis of novel chromenopyrimidines has been established. 2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (1) underwent cyclization reactions with various assorted reagents under sustainable conditions to afford a family fused pyrimidine derivatives. The proposed structures the designed pyrimidines were confirmed by several spectral techniques. Moreover, targeted estimated for their in vitro cytotoxic activities toward three carcinoma cell lines: breast (MCF7), hepatocyte (HepG2), and lung (A549) cancer lines, as well one noncancerous line (MCF-10A). Structure-activity relationship (SAR) analyses revealed that derivatives 3 7 exhibited highest potency inhibiting growth cells tested vitro. Particularly, 3-amino-4-imino-5-(thiophen-2-yl)-3,4,5,7,8,9-hexahydro-6H-chromeno[2,3-d]pyrimidin-6-one (3) displayed robust impact IC50 values ranging from 2.02 1.61 μM. Interestingly, compound was observed have low cytotoxicity (MCF-10A) compared standard drug (Doxorubicin). Further, quantum chemical computations molecules utilizing density functional theory (DFT) conducted shown be compatible antiproliferative properties. Thorough docking investigations assembled compounds possess exceptionally binding energies our selected proteins: 4b3z-Lung, HepG2-2JW2, 6ENV-MCV-7. Based on these intriguing results, could further evaluated preclinical screening, potentially paving way its utilization promising treatment.

Язык: Английский

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Dimolybdenum (II,II) paddlewheel complexes bearing non-steroidal anti-inflammatory drug ligands: Insights into the chemico-physical profile and first biological assessment

Journal of Inorganic Biochemistry, Год журнала: 2024, Номер 260, С. 112697 - 112697

Опубликована: Авг. 12, 2024

Multinuclear complexes are metal compounds featured by adjacent bound centers that can lead to unconventional reactivity. Some M

Язык: Английский

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Synthesis of uniquely substituted 4H-Chromeno[2,3-d] pyrimidin-2-one derivatives by l-Proline catalyzed green chemistry method

Journal of the Indian Chemical Society, Год журнала: 2022, Номер 100(1), С. 100862 - 100862

Опубликована: Дек. 27, 2022

Язык: Английский

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