A New Computer Model for Evaluating the Selective Binding Affinity of Phenylalkylamines to T-Type Ca<sup>2+</sup> Channels
To establish a computer model for evaluating the binding affinity of phenylalkylamines (PAAs) to T-type Ca<sup>2+</sup> channels (TCCs), we created new homology models for both TCCs and a L-type calcium channel (LCC). We found that PAAs have a high affinity for domains I and IV of TCCs a...
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| Main Authors: | , |
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| Format: | Book |
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MDPI AG,
2021-02-01T00:00:00Z.
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| Summary: | To establish a computer model for evaluating the binding affinity of phenylalkylamines (PAAs) to T-type Ca<sup>2+</sup> channels (TCCs), we created new homology models for both TCCs and a L-type calcium channel (LCC). We found that PAAs have a high affinity for domains I and IV of TCCs and a low affinity for domains III and IV of the LCC. Therefore, they should be considered as favorable candidates for TCC blockers. The new homology models were validated with some commonly recognized TCC blockers that are well characterized. Additionally, examples of the TCC blockers created were also evaluated using these models. |
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| Item Description: | 10.3390/ph14020141 1424-8247 |