Mechanistic aspects of benzothiazepines: a class of antiarrhythmic drugs.
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.
Yadav
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Department of Chemistry, University Institute of Engineering and Technology, CSJM University, Kanpur 208024, UP, India. arpitayadav@yahoo.co.in
Awasthi
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Rao
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D000889:Anti-Arrhythmia Agents / Q000737:chemistry / Q000494:pharmacology*; D001555:Benzene Derivatives; D002121:Calcium Channel Blockers / Q000737:chemistry* / Q000494:pharmacology; D015220:Calcium Channels / Q000737:chemistry / Q000378:metabolism; D006801:Humans; D008958:Models, Molecular; D011485:Protein Binding; D013329:Structure-Activity Relationship; D013841:Thiazepines / Q000737:chemistry / Q000494:pharmacology*
D000889:Anti-Arrhythmia Agents; D001555:Benzene Derivatives; D002121:Calcium Channel Blockers; D015220:Calcium Channels; D013841:Thiazepines