The authors have presented ab initio Hartree Fock calculations coupled with intermolecular interaction calculations to study mechanistic aspects of benzothiazepine class of calcium channel blockers. A channel model has been taken containing pore region glutamates and all three classes' sensing residues. Benzothiazepine drugs have been docked in and ternary complex (that is, drug ...Ca(2+)... channel model) stability has been studied and related to mechanistic aspects of these drugs.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1016/j.ejmech.2008.03.002 | DOI Listing |
Publication Analysis
Top Keywords
mechanistic aspects
12
channel model
8
aspects benzothiazepines
4
benzothiazepines class
4
class antiarrhythmic
4
antiarrhythmic drugs
4
drugs authors
4
authors presented
4
presented initio
4
initio hartree
4
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!