Department of Biochemistry, College of Medicine, University of Hail, Hail 2440, Saudi Arabia.
Biotechnology Department, Faculty of Science and Technology, Shendi University, Shendi 11111, Sudan.
Molecules. 2022 Aug 5;27(15):4980. doi: 10.3390/molecules27154980.
Diabetes is emerging as an epidemic and is becoming a public health concern worldwide. Diabetic nephropathy is one of the serious complications of diabetes, and about 40% of individuals with diabetes develop diabetic nephropathy. The consistent feature of diabetes and its associated nephropathy is hyperglycemia, and in some cases, hyperamylinemia. Currently, the treatment includes the use of medication for blood pressure control, sugar control, and cholesterol control, and in the later stage requires dialysis and kidney transplantation, making the management of this complication very difficult. Bioactive compounds, herbal medicines, and extracts are extensively used in the treatment and prevention of several diseases, and some are reported to be efficacious in diabetes too. Therefore, in this study, we tried to identify the therapeutic potential of phytochemicals used in in silico docking and molecular dynamic simulation studies using a library of 5284 phytochemicals against the two potential targets of type 2 diabetes-associated nephropathy. We identified two phytochemicals (i.e., gentisic acid and michelalbine) that target human amylin peptide and dipeptidyl peptidase-4, respectively, with good binding affinity. These phytochemicals can be further evaluated using in vitro and in vivo studies for their anti-hyperglycemia and anti-hyperamylinemia effects.
糖尿病正在成为一种流行疾病，并在全球范围内成为公共卫生关注的焦点。糖尿病肾病是糖尿病的严重并发症之一，约 40%的糖尿病患者会发展为糖尿病肾病。糖尿病及其相关肾病的共同特征是高血糖，在某些情况下还伴有高胰岛素血症。目前的治疗方法包括使用药物控制血压、血糖和胆固醇，在后期则需要透析和肾移植，这使得这种并发症的管理非常困难。生物活性化合物、草药和提取物被广泛用于治疗和预防多种疾病，一些也被报道对糖尿病有效。因此，在这项研究中，我们试图通过对 5284 种植物化学物质进行计算机对接和分子动力学模拟研究，确定其对两种与 2 型糖尿病相关肾病相关的潜在靶点的治疗潜力。我们确定了两种植物化学物质（即龙胆酸和 Michelalbine），它们分别针对人胰岛素原肽和二肽基肽酶-4，具有良好的结合亲和力。这些植物化学物质可以进一步通过体外和体内研究来评估它们的抗高血糖和抗高胰岛素血症作用。
