ArticleJournal of computer-aided molecular design1997
Comparative molecular modelling study of the calcium channel blockers nifedipine and black mamba toxin FS2.
Article in Journal of computer-aided molecular design, 1997. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
2 citing papers in PubMed, 12 citations in OpenAlex.
- Structural biology of voltage-gated calcium channels.Channels (Austin, Tex.) · 2024Review
- Snake Venom Components as Therapeutic Drugs in Ischemic Heart Disease.Biomolecules · 2023Review
Corrections and comments
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Authors and funding
1 author at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The identification and structural determination of the critical amino acid residues causing the calcium channel blocking effects of the angusticeps type III toxin FS2 is described. Alignments with more than 200 different short and long neuro-, cyto-, muscarinic and other angusticeps-type toxins yielded 12 amino acid residues at the tips of loops II and III which are unique to the type III toxins. The competitive binding behaviour between the 1,4-dihydropyridine derivative nifedipine and toxin FS2 was used for a further delimitation of the relevant toxin binding domain. Using the ab initio geometry optimized nifedipine X-ray structure as a template, a model based on the sequence Met45-Trp46-cis-Pro47-Tyr48 has been elaborated. This sequence shows the same hydrophobic and hydrogen bond forming properties as nifedipine. In addition, qualitatively similar molecular electrostatic potentials are observed for both structures, leading to the assumption that these amino acid residues of the toxin act as the potential attachment region at the calcium channel receptor site.
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