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Novel Insights in the Hypertension Treatment & Type 2 Diabetics Induced by Angiotensin Receptor Blockers: MD Simulation Studies & Molecular Docking of Some Promising Natural Therapies
ACS Omega ( IF 4.1 ) Pub Date : 2024-05-02 , DOI: 10.1021/acsomega.4c01319
Madiha R. Mahmoud 1, 2 , Mona M. Shahien 3 , Somia Ibrahim 3 , Fahaad S Alenazi 1 , Weiam Hussein 4, 5 , Marwa H. Abdallah 6, 7 , Ahmed Aljadani 8 , Fayez Alreshidi 9 , Hemat E El-Horany 10, 11 , Gamal Eldin M Osman Elhussein 3 , Rania Abdeen H Abdalla 12 , Abeer H Elhaj 13 , Amany M Khalifa 14, 15
Affiliation  

Angiotensin receptor blockers (ARBs) are commonly used to treat hypertension that target the hormonal system (renin-angiotensin system (RAS)), which regulates various physiological functions in the body. ARBs work by blocking the binding of angiotensin II to its receptor, thereby preventing a rise in blood pressure. These drugs not only normalize the overactivation of RAS but also provide protective effects against cardiovascular, renal, and type 2 diabetic patients. Inappropriate RAS activity has been linked to insulin resistance of type 2 diabetes. Olmesartan, as an ARB, was found to have a beneficial role in reducing postprandial glucose levels in type 2 diabetes. However, ARBs can cause side effects, prompting a search for new compounds that have fewer adverse effects. This study explores the potential of natural metabolites, specifically eugenol, gallic acid, myricetin, p-cymene, quercetin, and kaempferol, as ARB inhibitors compared to the current standard, olmesartan. Using in silico studies, the binding affinity of these natural substances to the ARB receptor was evaluated. The results showed that myricetin and kaempferol had affinities higher than those of olmesartan, suggesting that they could serve as promising ARB inhibitors for hypertension treatment. These natural compounds could provide an alternative approach to conventional antihypertensive drugs, which may have fewer side effects. However, more research is needed to validate the efficacy and safety of these natural compounds as antihypertensive drugs. Further in vitro and in vivo studies are needed to confirm their effectiveness and safety. This study provides a promising starting point for future investigations into the potential of natural metabolites as alternative treatments for hypertension. The findings also highlight the importance of exploring natural alternative treatments for hypertension and the protective effects of ARBs on early stage type-2 diabetics.

中文翻译:

血管紧张素受体阻滞剂引起的高血压治疗和 2 型糖尿病的新见解:MD 模拟研究和一些有前景的自然疗法的分子对接

血管紧张素受体阻滞剂 (ARB) 通常用于治疗高血压,其作用靶点是调节体内各种生理功能的激素系统(肾素-血管紧张素系统 (RAS))。ARB 通过阻断血管紧张素 II 与其受体的结合起作用,从而防止血压升高。这些药物不仅可以使 RAS 的过度激活正常化,还可以对心血管、肾脏和 2 型糖尿病患者产生保护作用。不适当的 RAS 活性与 2 型糖尿病的胰岛素抵抗有关。奥美沙坦作为一种 ARB,被发现在降低 2 型糖尿病患者的餐后血糖水平方面具有有益作用。然而,ARB 会引起副作用,这促使人们寻找副作用较少的新化合物。本研究探讨了天然代谢物(特别是丁香酚、没食子酸、杨梅素、蒎烯、槲皮素和山奈酚)作为 ARB 抑制剂的潜力,与目前的标准奥美沙坦相比。利用计算机模拟研究评估了这些天然物质与 ARB 受体的结合亲和力。结果表明,杨梅素和山奈酚的亲和力高于奥美沙坦,表明它们可以作为有前途的 ARB 抑制剂用于治疗高血压。这些天然化合物可以提供一种替代传统抗高血压药物的方法,副作用可能更少。然而,还需要更多的研究来验证这些天然化合物作为抗高血压药物的有效性和安全性。需要进一步的体外和体内研究来证实它们的有效性和安全性。这项研究为未来研究天然代谢物作为高血压替代疗法的潜力提供了一个有希望的起点。研究结果还强调了探索高血压的天然替代疗法以及 ARB 对早期 2 型糖尿病患者的保护作用的重要性。
更新日期:2024-05-02
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