芦丁和桑辣素抗糖尿病相关分子靶点的计算机分析。

In silico pharmacology Pub Date : 2025-04-24 eCollection Date: 2025-01-01 DOI:10.1007/s40203-025-00353-1
Rout George Kerry, Soumya Ranjan Mahapatra, Sanghamitra Nayak, Hemangini Naik, Kanika Kisku, Bijayananda Panigrahi, Namrata Misra, Sanatan Majhi
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引用次数: 0

摘要

糖尿病是已知最古老的人类疾病之一,受代谢、遗传和环境因素复杂的相互作用调节。有几种治疗选择,包括药物治疗、锻炼、改善健康措施、心理和精神健康,以及改善差距和抑郁。目前的治疗方案虽然有效,但往往会出现副作用,包括严重的并发症,如胃肠道不适、疗效下降和体重增加。具有抗糖尿病和/或降糖特性的植物源性生物活性物质已被发现是有效的,然而,大多数草药的作用机制仍在定性和标准化中。然而,在目前对植物化合物的计算机预测中,芦丁(Rutin, RU)和桑肽(Morin, MO)显示它们在阻断促进糖尿病发展的酶和受体方面比传统抑制剂更有效或更有效。计算机研究结果清楚地表明RU和MO在结合糖尿病易感酶(α -淀粉酶、DPP-4和麦芽糖酶-葡萄糖淀粉酶)和受体(GLP-1R、SGLT1和SGLT2)中的重要性。此外,体外抗糖尿病酶分析表明RU和MO对两种糖尿病相关分子靶点可能具有抑制活性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
In silico analysis of Rutin and Morin against diabetes-associated molecular targets.

Diabetes is one of the oldest diseases known to occur in humans and is regulated by a complex interplay of metabolic, genetic, and environmental factors. Several therapeutic options exist, including medications, exercise, improved health measures, psychological and mental well-being, and amelioration of disparity and depression. Current therapeutic options although are effective, they tends to display side effects that includes significant complications like gastrointestinal discomfort, decreased effectiveness and weight gain. Plant-derived bioactive substances with antidiabetic and/or hypoglycaemic properties have been found to be effective, however, the mechanism of action of the majority of herbs are still being characterized and standardized. However, in the present in-silico prediction for phytocompounds, Rutin (RU) and Morin (MO) revealed them to be more effective than or equal to conventional inhibitors in blocking the enzymes and receptors that contribute to diabetes development. Results of the in-silico investigations have clearly demonstrated the importance of RU and MO in binding diabetic-susceptible enzymes (alpha-amylase, DPP-4, and maltase-glucoamylase) and receptors (GLP-1R, SGLT1 and SGLT2). Additionally, in vitro antidiabetic enzymatic assays demonstrated the possible inhibitory activity of RU and MO against two diabetes-related molecular targets.

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