Molecular Modeling and Potential Ca<sup>2+</sup> Channel Blocker Activity of Diphenylmethoxypiperidine Derivatives

Molecular interactions of 4-diphenylmethoxy-1-methylpiperidine derivatives with the calcium channel CaV1.1 (pdb:6JP5) are described. All the compounds tested, previously shown to inhibit adrenergic vascular contractions, display similar binding energetics and interactions with the trans-membrane dom...

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Bibliographic Details
Main Authors: Victor M. Pulgar, Jill Harp, Tony E. Reeves
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Chemistry
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Online Access:https://www.mdpi.com/2624-8549/5/2/50
Description
Summary:Molecular interactions of 4-diphenylmethoxy-1-methylpiperidine derivatives with the calcium channel CaV1.1 (pdb:6JP5) are described. All the compounds tested, previously shown to inhibit adrenergic vascular contractions, display similar binding energetics and interactions with the trans-membrane domain of 6JP5 on the opposite side relative to the channel pore, where nifedipine, a known dihydropyridine Ca<sup>2+</sup> channel blocker binds. Additionally, the compounds tested inhibit Ca<sup>2+</sup>-dependent contractions in isolated mouse mesenteric arteries. Thus, diphenylpyraline analogs may exert their anticontractile effects, at least partially, by blocking vascular Ca<sup>2+</sup> channels.
ISSN:2624-8549