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Title

Molecular docking analysis of calcium channel blockers with ALR2 and RAGE

 

Authors

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

 

Affiliation

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

 

Email

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

 

Date

Received January 1, 2023; Revised January 30, 2023; Accepted January 31, 2023, Published January 31, 2023

 

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 (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.

 

Keywords

Molecular docking analysis,  calcium channel blockers, ALR2, RAGE

 

Citation

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

 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

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.