A New Computer Model for Evaluating the Selective Binding Affinity of Phenylalkylamines to T-Type Ca2+ Channels.
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ABSTRACT:
SUBMITTER: Lu Y
PROVIDER: S-EPMC7916697 | biostudies-literature | 2021 Feb
REPOSITORIES: biostudies-literature
Publications
A New Computer Model for Evaluating the Selective Binding Affinity of Phenylalkylamines to T-Type Ca<sup>2+</sup> Channels.
Pharmaceuticals (Basel, Switzerland) 20210210 2
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 blocker ...[more]
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