Zarricueta Melina Luzzi, Fagundes Felipe Leonardo, Pereira Quélita Cristina, Pantaleão Simone Queiroz, Santos Raquel de Cássia Dos
Laboratory of Pharmacology and Molecular Biology, Post Graduate Program in Health Sciences, Medical School, São Francisco University, Bragança Paulista, São Paulo 12916-900, Brazil.
Laboratory of Computational Biology and Bioinformatics, Federal University of ABC, Av. dos Estados, 5001-Bangú, Santo André 09210-580, Brazil.
Pharmaceutics. 2022 Mar 4;14(3):565. doi: 10.3390/pharmaceutics14030565.
Peptic ulcers are lesions that affect the gastrointestinal tract and that can be triggered by external factors such as alcohol use. This study investigated the gastroprotective role of two anthocyanidins, malvidin and cyanidin chloride, in an ethanol-induced gastric ulcer model in male and female mice (ovariectomized and supplemented with 17β-estradiol or not) and aimed to evaluate the effectiveness of anthocyanidins in preventing the formation of lesions and to identify the underlying mechanisms, while considering hormonal differences. Moreover, in silico comparative analysis was performed to predict the properties and biological behaviors of the molecules. We observed that the hormonal status did not interfere with the gastroprotective action of malvidin, although antioxidant mechanisms were modulated differently depending on sex. On the other hand, cyanidin showed gastroprotective activity at different doses, demonstrating that, for the same experimental model, there is a need to adjust the effective dose depending on sex. In silico analysis showed that, despite being structurally similar, the interaction with receptors and target proteins in this study (myeloperoxidase, superoxide dismutase, catalase, and reduced glutathione) differed between the two molecules, which explains the difference observed in in vivo treatments.
消化性溃疡是影响胃肠道的病变，可由饮酒等外部因素引发。本研究调查了两种花青素——锦葵色素和氯化花青素在雄性和雌性小鼠（去卵巢并补充或不补充17β-雌二醇）乙醇诱导的胃溃疡模型中的胃保护作用，旨在评估花青素预防病变形成的有效性并确定其潜在机制，同时考虑激素差异。此外，进行了计算机模拟比较分析以预测分子的性质和生物学行为。我们观察到，尽管抗氧化机制因性别而异，但激素状态并未干扰锦葵色素的胃保护作用。另一方面，花青素在不同剂量下均显示出胃保护活性，表明对于相同的实验模型，需要根据性别调整有效剂量。计算机模拟分析表明，尽管这两种分子结构相似，但在本研究中它们与受体和靶蛋白（髓过氧化物酶、超氧化物歧化酶、过氧化氢酶和还原型谷胱甘肽）的相互作用有所不同，这解释了在体内治疗中观察到的差异。
