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Molecular docking analysis of calcium channel blockers with ALR2 and RAGE.


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.

SUBMITTER: Kazmi S 

PROVIDER: S-EPMC10504517 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature

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Molecular docking analysis of calcium channel blockers with ALR2 and RAGE.

Kazmi Samreen S   Challa Surekha S   Alaparthi Malini Devi MD   M Indira Devi ID   Nagamalla Swetha Sudha SS   Ej Priya P  

Bioinformation 20230131 1


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 effi  ...[more]

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