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

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Article in Bioinformation, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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6 authors.

Samreen KazmiDepartment of Biotechnology, Mahatma Gandhi University, Narketpally Mandal, Telangana, India, 508003.

Surekha ChallaDepartment of Biochemistry & Bioinformatics, GITAM University, Gandhi Nagar, Rushikonda, Visakhapatnam, Andhra Pradesh 530045.

Malini Devi AlaparthiDepartment of Genetics and Biotechnology, Osmania University, Hyderabad, India 500007.

Indira Devi MDepartment of Biotechnology, Mahatma Gandhi University, Narketpally Mandal, Telangana, India, 508003.

Swetha Sudha NagamallaDepartment of Genetics and Biotechnology, Osmania University, Hyderabad, India 500007.

Priya EjDepartment of Genetics and Biotechnology, Osmania University, Hyderabad, India 500007.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

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.

Indexed as

ALR2blockerscalcium channelMolecular dockingRAGE

Identifiers

PMID37720280

DOI10.6026/97320630019028

PMCPMC10504517

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