Anthony Ammal Soosai Marian, Sudha Sai, Rajkumar Durairaj, Baskaran Adhithya, Krishnamoorthy Gunasekaran, Anbumozhi Madurai Kannan
Department of Anatomy, Karpaga Vinayaga Institute of Medical Sciences and Research Centre, Maduranthagam, IND.
Department of Pathology, Sree Balaji Medical College and Hospital, Chennai, IND.
Cureus. 2023 Feb 1;15(2):e34507. doi: 10.7759/cureus.34507. eCollection 2023 Feb.
Diabetes is one of the most prevalent metabolic illnesses that can be fatal, and it is the ninth-largest cause of mortality worldwide. Even though there are effective hypoglycemic medications available for the treatment of diabetes, researchers continue to look for a medication that is more effective and has fewer adverse effects by focusing on various metabolic components such as enzymes, transporters, receptors. The enzyme Glucokinase (GCK), which is present mainly in the liver and beta cells of the pancreas, is involved in maintaining blood glucose homeostasis. Hence, the present in silico study is designed to determine the interaction between GCK and compounds (ligands) of . In the current docking investigation, we discovered that important residues, including ASP-205, LYS-169, GLY-181, and ILE-225, significantly influence in ligand binding affinity. Docking tests of these compounds with target proteins revealed that this is a suitable molecule that docks well with the target of diabetes treatment. In conclusion, we believe that the compounds of caryophyllene have anti-diabetic activity based on the present study.
糖尿病是最常见的可致命的代谢性疾病之一，是全球第九大死因。尽管有有效的降糖药物可用于治疗糖尿病，但研究人员仍在继续寻找一种更有效且副作用更少的药物，他们专注于各种代谢成分，如酶、转运蛋白、受体。主要存在于肝脏和胰腺β细胞中的葡萄糖激酶（GCK）参与维持血糖稳态。因此，本次计算机模拟研究旨在确定GCK与……的化合物（配体）之间的相互作用。在当前的对接研究中，我们发现包括ASP - 205、LYS - 169、GLY - 181和ILE - 225在内的重要残基对配体结合亲和力有显著影响。这些化合物与靶蛋白的对接测试表明，这是一种与糖尿病治疗靶点结合良好的合适分子。总之，基于本研究，我们认为石竹烯化合物具有抗糖尿病活性。
