Department of Pharmacology, Central University of Punjab, Ghudda, Bathinda-151401, India.
Department of Pharmacy, Noakhali Science and Technology University, Noakhali, Sonapur-3814, Bangladesh.
Comb Chem High Throughput Screen. 2024;27(11):1676-1699. doi: 10.2174/0113862073260323231120134826.
To evaluate the antidiabetic potential of β-sitosterol from Zingiber roseum.
Diabetes mellitus is a cluster of metabolic disorders, and 90% of diabetic patients are affected with Type II diabetes (DM2). For the treatment of DM2, thiazolidinedione drugs (TZDs) were proposed, but recent studies have shown that TZDs have several detrimental effects, such as weight gain, kidney enlargement (hypertrophy), fluid retention, increased risk of bone fractures, and potential harm to the liver (hepatotoxicity). That is why a new molecule is needed to treat DM2.
The current research aimed to assess the efficacy of β-Sitosterol from methanolic extract of Zingiber roseum in managing diabetes PPARγ modulation.
Zingiber roseum was extracted using methanol, and GC-MS was employed to analyze the extract. Through homology modeling, PPARγ structure was predicted. Molecular docking, MD simulation, free binding energies, QSAR, ADMET, and bioactivity and toxicity scores were all used during the in-depth computer-based research.
Clinically, agonists of synthetic thiazolidinedione (TZDs) have been used therapeutically to treat DM2, but these TZDs are associated with significant risks. Hence, GC-MS identified phytochemicals to search for a new PPAR-γ agonist. Based on the investigation, β-sitosterol was found to have a higher binding affinity (-8.9 kcal/mol) than standard drugs. MD simulations and MMGBSA analysis also demonstrated that β-sitosterol bound to the PPAR-γ active site stably.
It can be concluded that β-sitosterol from attenuates Type-II diabetes by modulating PPARγ activity.
评估姜黄中β-谷甾醇的降血糖潜力。
糖尿病是一组代谢紊乱，90%的糖尿病患者患有 2 型糖尿病（DM2）。对于 2 型糖尿病的治疗，噻唑烷二酮类药物（TZDs）被提出，但最近的研究表明 TZDs 有几个不利影响，如体重增加、肾脏增大（肥大）、液体潴留、骨折风险增加和潜在的肝脏损害（肝毒性）。这就是为什么需要一种新的分子来治疗 2 型糖尿病。
本研究旨在评估姜黄甲醇提取物中β-谷甾醇在调节糖尿病 PPARγ中的功效。
用甲醇提取姜黄，并用 GC-MS 分析提取物。通过同源建模预测 PPARγ结构。在深入的计算机研究中，使用了分子对接、MD 模拟、自由结合能、QSAR、ADMET、生物活性和毒性评分。
临床上，合成噻唑烷二酮（TZDs）的激动剂已被用于治疗 2 型糖尿病，但这些 TZDs 存在显著风险。因此，GC-MS 鉴定了植物化学物质，以寻找新的 PPAR-γ 激动剂。基于研究，β-谷甾醇的结合亲和力（-8.9 kcal/mol）高于标准药物。MD 模拟和 MMGBSA 分析也表明，β-谷甾醇稳定地结合到 PPAR-γ 活性部位。
可以得出结论，β-谷甾醇通过调节 PPARγ活性来减轻 2 型糖尿病。
