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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| Format: | Article |
| Language: | English |
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MDPI AG
2023-03-01
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| Series: | Chemistry |
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| Online Access: | https://www.mdpi.com/2624-8549/5/2/50 |
| _version_ | 1797595518921080832 |
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| author | Victor M. Pulgar Jill Harp Tony E. Reeves |
| author_facet | Victor M. Pulgar Jill Harp Tony E. Reeves |
| author_sort | Victor M. Pulgar |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-11T02:38:40Z |
| format | Article |
| id | doaj.art-42886a10a6774c73b79f9cded8d26794 |
| institution | Directory Open Access Journal |
| issn | 2624-8549 |
| language | English |
| last_indexed | 2024-03-11T02:38:40Z |
| publishDate | 2023-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Chemistry |
| spelling | doaj.art-42886a10a6774c73b79f9cded8d267942023-11-18T09:45:13ZengMDPI AGChemistry2624-85492023-03-015271371910.3390/chemistry5020050Molecular Modeling and Potential Ca<sup>2+</sup> Channel Blocker Activity of Diphenylmethoxypiperidine DerivativesVictor M. Pulgar0Jill Harp1Tony E. Reeves2Department of Pharmaceutical & Clinical Sciences, College of Pharmacy & Health Sciences, Campbell University, Buies Creek, NC 27506, USABiomedical Research Infrastructure Center, Winston-Salem State University, Winston-Salem, NC 27101, USADepartment of Internal Medicine, Wake Forest School of Medicine, Winston-Salem, NC 27157, USAMolecular 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.https://www.mdpi.com/2624-8549/5/2/50piperidinol-4L-type calcium channelsarterial contractiondiphenylmethoxypiperidine |
| spellingShingle | Victor M. Pulgar Jill Harp Tony E. Reeves Molecular Modeling and Potential Ca<sup>2+</sup> Channel Blocker Activity of Diphenylmethoxypiperidine Derivatives Chemistry piperidinol-4 L-type calcium channels arterial contraction diphenylmethoxypiperidine |
| title | Molecular Modeling and Potential Ca<sup>2+</sup> Channel Blocker Activity of Diphenylmethoxypiperidine Derivatives |
| title_full | Molecular Modeling and Potential Ca<sup>2+</sup> Channel Blocker Activity of Diphenylmethoxypiperidine Derivatives |
| title_fullStr | Molecular Modeling and Potential Ca<sup>2+</sup> Channel Blocker Activity of Diphenylmethoxypiperidine Derivatives |
| title_full_unstemmed | Molecular Modeling and Potential Ca<sup>2+</sup> Channel Blocker Activity of Diphenylmethoxypiperidine Derivatives |
| title_short | Molecular Modeling and Potential Ca<sup>2+</sup> Channel Blocker Activity of Diphenylmethoxypiperidine Derivatives |
| title_sort | molecular modeling and potential ca sup 2 sup channel blocker activity of diphenylmethoxypiperidine derivatives |
| topic | piperidinol-4 L-type calcium channels arterial contraction diphenylmethoxypiperidine |
| url | https://www.mdpi.com/2624-8549/5/2/50 |
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