Kazmi Samreen, Challa Surekha, Alaparthi Malini Devi, M Indira Devi, Nagamalla Swetha Sudha, Ej Priya
Department of Biotechnology, Mahatma Gandhi University, Narketpally Mandal, Telangana, India, 508003.
Department of Biochemistry & Bioinformatics, GITAM University, Gandhi Nagar, Rushikonda, Visakhapatnam, Andhra Pradesh 530045.
Bioinformation. 2023 Jan 31;19(1):28-31. doi: 10.6026/97320630019028. eCollection 2023.
A metabolic condition called diabetes mellitus is linked to a number of substantial challenges. Advanced Glycation End Products (AGEs) and Aldose reductase (ALR2) are crucial in the slow development of several secondary complications. Selected calcium channel blockers (CCB's-1, 4-dihydropyridines) were docked against ALR2 (PDB code: 1Z3N) and RAGE (PDB code: 3CJJ) in the current study. We report that 1, 4-dihydropyridine compounds, particularly Benidipine, bind to the active sites with good efficiency. Thus, 1,4 dihydropyridine derivatives can be considered for further confirmation in drug discovery.
一种名为糖尿病的代谢疾病与许多重大挑战相关联。晚期糖基化终产物（AGEs）和醛糖还原酶（ALR2）在多种继发性并发症的缓慢发展过程中起着关键作用。在本研究中，将选定的钙通道阻滞剂（CCB - 1,4 - 二氢吡啶类）与ALR2（蛋白质数据银行代码：1Z3N）和晚期糖基化终末产物受体（RAGE，蛋白质数据银行代码：3CJJ）进行对接。我们报告称，1,4 - 二氢吡啶类化合物，尤其是贝尼地平，能高效地与活性位点结合。因此，1,4 - 二氢吡啶衍生物可在药物研发中考虑进一步验证。
