Analysis of Antidiabetic Potential of Palmitic Acid Compounds Through In Silico Activation

Ardellya Elfidaa Salsabila, Nurlaili Susanti, Z. S. Ulhaq
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Abstract

Diabetes Mellitus is a condition where the body's sugar level exceeds the blood's normal limit. Type 2 Diabetes Mellitus is the most common type of diabetes and is a chronic disease caused by insulin resistance and beta-cell dysfunction, resulting in decreased insulin sensitivity. The management of diabetes Mellitus is in the form of oral hypoglycemic drugs. Still, these drugs have side effects such as gastrointestinal disturbances, nausea, vomiting, hypoglycemia, macrovascular disorders, microvascular disorders, etc. So, it is necessary to seek alternative drugs to increase insulin sensitivity to lower blood sugar levels which are safer using herbal plants. One of the suspected plants that can be an alternative medicine to reduce excess blood sugar levels is the dandang gendis plant (Clinacanthus nutans). The dandang gendis plant (Clinacanthus nutans) contains palmitic acid, which can reduce excess blood sugar levels in the blood. This study aims to determine the potential of palmitic acid compounds from the Dandang gendis plant as an in silico AMPK protein activator. Methods: Qualitative descriptive method using molecular docking in silico method to determine the affinity and interaction with palmitic acid compounds in the dandang gendis plant in activating AMPK protein. Docking between palmitic acid and AMPK produces an energy value (∆Gbind) of -5.3 kcal/mol. docking of metformin resulted in the lowest energy value (∆Gbind) of 5.1 kcal/mol. The bond produced by palmitic acid docking has a fairly strong affinity for the AMPK protein of -5.3 kcal/mol. So palmitic acid, an ingredient in the dandang gendis plant (Clinacanthus nutans) has the potential as an antidiabetic.
通过硅活化分析棕榈酸类化合物的抗糖尿病潜能
糖尿病是一种身体的血糖水平超过血液正常限度的情况。2型糖尿病是最常见的糖尿病类型,是一种由胰岛素抵抗和β细胞功能障碍引起的慢性疾病,导致胰岛素敏感性降低。糖尿病的治疗以口服降糖药的形式进行。然而,这些药物有副作用,如胃肠道紊乱、恶心、呕吐、低血糖、大血管疾病、微血管疾病等。因此,有必要寻找替代药物来提高胰岛素敏感性,降低血糖水平,使用草药更安全。其中一种被怀疑可以作为降低血糖水平的替代药物的植物是丹当属植物(Clinacanthus nutans)。丹丹属植物(Clinacanthus nutans)含有棕榈酸,可以降低血液中过量的血糖水平。本研究旨在确定丹当龙胆棕榈酸类化合物作为硅基AMPK蛋白激活剂的潜力。方法:采用定性描述的方法,采用分子对接硅法测定丹当龙胆中棕榈酸类化合物对AMPK蛋白激活的亲和力和相互作用。棕榈酸与AMPK对接产生的能量值(∆Gbind)为-5.3千卡/摩尔。二甲双胍对接后能量值最低(∆Gbind)为5.1 kcal/mol。棕榈酸对接产生的键对AMPK蛋白具有-5.3 kcal/mol的较强亲和力。因此,丹丹属植物(Clinacanthus nutans)中的一种成分棕榈酸具有抗糖尿病的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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