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Molecular docking analysis of calcium channel blockers with ALR2 and RAGE



Samreen Kazmi1,*, Challa Surekha2, Alaparthi Malini Devi3, M Indira Devi1, Swetha Sudha Nagamalla & EJ Priya3



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



SamreenKazmi - E-mail: samreenkazmi454@gmail.com;

Challa Surekha - E-mail: schalla@gitam.edu

Alaparthi Malini Devi - E-mail: alaparthimalini@osmania.ac.in

M Indira Devi - E-mail: indupbs@gmail.com

Swetha Sudha Nagamalla - E-mail: swethanagamalla@gmail.com

EJ Priya - E-mail: ejanapriya@osmania.ac.in


Article Type

Research Article



Received January 1, 2023; Revised January 30, 2023; Accepted January 31, 2023, Published January 31, 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 (CCBs-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.



Molecular docking analysis,  calcium channel blockers, ALR2, RAGE



Kazmi et al. Bioinformation 19(1): 28-31 (2023)


Edited by

P Kangueane






Biomedical Informatics



This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.