Department of Biochemistry, Government College University Faisalabad, Pakistan.
Department of Zoology, The Islamia University of Bahawalpur, Bahawalpur, Pakistan.
Biomed Res Int. 2021 Mar 8;2021:5550180. doi: 10.1155/2021/5550180. eCollection 2021.
Diabetes mellitus is the most common chronic disorder and leading cause of renal, neurological, and gastrointestinal manifestations in developed and developing countries. Despite of many drugs and combinational therapies, the complications of diabetes are still listed due to severe consequences of those drugs. In past few years, plant-derived drugs draw special attention due to their higher efficacy and fewer side-effects. also known as bitter melon is referred as an antidiabetic and hypoglycemic plant in native populations of Asia and East Africa. In current study, an in silico approach was used to evaluate the interactions and binding patterns of plant-derived peptides devised from a hypoglycemic protein adMc1 of as potential inhibitor of DPP-IV, SGLT1, and GLUT2 receptor proteins. The study has described a novel approach to investigate hypoglycemic peptides to cure diabetes. A total of eighty tetra-, penta-, and hexapeptides were devised from conserved regions of adMc1 homologs. The molecular docking approach using MOE software was employed to reveal inhibiting potentials of devised peptides against three selected proteins. Out of 30 shortlisted ligands six peptides (i.e. SMCG, DECC, TTIT, RTTI, ARNL and TVEV) accomplished the criteria of being good drug candidates against selected receptor proteins following the drugability assessment test. The overall results are acceptable on the basis of ADMET profiling for being good drug candidates against selected proteins.
糖尿病是发达国家和发展中国家最常见的慢性疾病，也是导致肾脏、神经和胃肠道疾病的主要原因。尽管有许多药物和联合疗法，但由于这些药物的严重后果，糖尿病的并发症仍然存在。在过去的几年中，植物来源的药物因其更高的疗效和更少的副作用而引起了特别的关注。苦瓜也被称为降血糖和降血糖植物，在亚洲和东非的土著人群中被用作治疗糖尿病的药物。在目前的研究中，采用了一种基于计算机的方法来评估从降血糖蛋白 adMc1 设计的植物来源肽的相互作用和结合模式，作为 DPP-IV、SGLT1 和 GLUT2 受体蛋白的潜在抑制剂。该研究描述了一种新的方法来研究治疗糖尿病的降血糖肽。从 adMc1 同源物的保守区域设计了总共 80 个四肽、五肽和六肽。使用 MOE 软件的分子对接方法被用来揭示设计肽对三种选定蛋白质的抑制潜力。在 30 个被筛选的配体中，有 6 个肽（即 SMCG、DECC、TTIT、RTTI、ARNL 和 TVEV）通过药物评估测试，符合成为针对所选受体蛋白的良好药物候选物的标准。根据所选蛋白质的 ADMET 分析，这些结果在成为良好药物候选物方面是可以接受的。
