| Title | Use of molecular modeling to study superimposition of angiotensin II with its non-peptide receptor antagonists | |
| Authors | T. Mavromoustakos¹, E. Theodoropoulou¹, J. Matsoukas², G. Moore³ and J. Smith⁴
1. The National Hellenic Research Foundation, Institute of Organic and Pharmaceutical Chemistry, Vas. Constantinou 48, Athens 116 35 Greece 2. Department of Chemistry, University of Patras, Patra 26000, Greece 3. Department of Pharmacology and Therapeutics, University of Calgary, 3300 Hospital Drive NW, Calgary, Alberta, T2N 4N1 Canada 4. Department of Chemistry, University of Exeter, Stocker Road, UK EX4QD |
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| Citation | Mavromoustakos, T., Theodoropoulou, E., Matsoukas, J., Moore, G., Smith, J.: Use of molecular modeling to study superimposition of angiotensin II with its non-peptide receptor antagonists, Epitheorese Klin. Farmakol. Farmakokinet. 8(3): 137-142 (1994) | |
| Publication Date | Received for publication: 15 November 1994
Accepted for publication: 15 December 1994 |
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| Full Text Language | English | |
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| Keywords | Angiotensin II (All), All receptor antagonists, EXP3174, SK&F108566, molecular modeling. | |
| Other Terms | review article | |
| Summary | We have proposed the conformation of All based on a combination of NMR data and molecular graphics (J. Biol. Chem. 1994, 269, 1-10). This model was used as a template for overlay with synthetic non-peptide potent All receptor antagonists EXP3174 and SK&F108566. The overlay of the structures was based on literature structure-activity relationships data. The superimposition of All with the global energy con formers of All receptor antagonists derived from a combination of minimization algorithms and Grid Scan Conformational Search Method was achieved using Rigid Body Fit installed in QUANTA-charmm software. The results showed that these low energy con formers fit properly to the published model. | |
| References | – | |
| Relative Papers |
Online ISSN 1011-6575
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Articles published in this Journal are Indexed or Abstracted in: • Chemical Abstracts • Elsevier’s Bibliographic Databases: Scopus, EMBASE, EMBiology, Elsevier BIOBASE SCImago Journal and Country Rank Factor
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| ΕΤΗΣΙΑ ΣΥΝΔΡΟΜΗ 1994 – ANNUAL SUBSCRIPTION 1994 | |
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