Mechanistic Insights into the Anticancer Potential of Methoxyflavones Analogs: A Review

Molecules, Год журнала: 2025, Номер 30(2), С. 346 - 346

Опубликована: Янв. 16, 2025

2-phenylchromen-4-one, commonly known as flavone, plays multifaceted roles in biological response that can be abundantly present natural sources. The methoxy group naturally occurring flavones promotes cytotoxic activity various cancer cell lines by targeting protein markers, facilitating ligand-protein binding mechanisms and activating cascading downstream signaling pathways leading to death. However, the lipophilic nature of these analogs is a key concern it impacts drug membrane transfer. While lipophilicity crucial for efficacy, excessive effects flavonoids reduce water solubility hinder transport target sites. Recent vitro studies suggest incorporation polar hydroxyl groups which form hydrogen bonds stabilize free radicals may help overcome challenges associated with while maintaining their essential properties. Naturally coexisting methoxyflavones, this review explores synergistic role hydroxy moieties through bonding capacity maximizing cytotoxicity against lines. physicochemical analysis revealed potential intramolecular interaction favorable electron delocalization region between both improve levels. Together, provides useful strategy structure-activity relationship (SAR) flavonoid distinct suggesting optimal functional positioning achieve balanced lipophilicity, effective bonding, simultaneously minimized steric hindrance specific types.

Язык: Английский

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Construction of IRAK4 inhibitor activity prediction model based on machine learning

Molecular Diversity, Год журнала: 2024, Номер 28(4), С. 2289 - 2300

Опубликована: Июль 6, 2024

Язык: Английский

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Three-Branch Molecular Representation Learning Framework for Predicting Molecular Properties in Drug Discovery

2022 IEEE 46th Annual Computers, Software, and Applications Conference (COMPSAC), Год журнала: 2024, Номер unknown, С. 1983 - 1989

Опубликована: Июль 2, 2024

Язык: Английский

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Novel potent SOS1 inhibitors containing a tricyclic quinazoline scaffold: a joint view of experiments and simulations

European Journal of Medicinal Chemistry, Год журнала: 2024, Номер 282, С. 117065 - 117065

Опубликована: Ноя. 17, 2024

Язык: Английский

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