Molecular docking analysis of calcium channel blockers with ALR2 and RAGE

Samreen Kazmi; Surekha Challa; Malini Devi Alaparthi; Indira Devi M; Swetha Sudha Nagamalla; Priya Ej

doi:10.6026/97320630019028

Molecular docking analysis of calcium channel blockers with ALR2 and RAGE

Bioinformation. 2023 Jan 31;19(1):28-31. doi: 10.6026/97320630019028. eCollection 2023.

Authors

Samreen Kazmi¹, Surekha Challa², Malini Devi Alaparthi³, Indira Devi M¹, Swetha Sudha Nagamalla³, Priya Ej³

Affiliations

¹ Department of Biotechnology, Mahatma Gandhi University, Narketpally Mandal, Telangana, India, 508003.
² Department of Biochemistry & Bioinformatics, GITAM University, Gandhi Nagar, Rushikonda, Visakhapatnam, Andhra Pradesh 530045.
³ Department of Genetics and Biotechnology, Osmania University, Hyderabad, India 500007.

Abstract

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.

Keywords: ALR2; Molecular docking; RAGE; blockers; calcium channel.