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Digitale Medien

Keserű, György M. ; Nógrádi, Mihály

Chicester [u.a.] : Wiley-Blackwell

Journal of Molecular Recognition 9 (1996), S. 133-138

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Details

ISSN: 0952-3499

Schlagwort(e): macrocyclic bis(bibenzyls) ; molecular similarity ; marchantin A ; ricrardin A ; Chemistry ; Biochemistry and Biotechnology

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Medizin

Notizen: Conformational analysis of marchantin A (1), a bis(diarylether) type, and riccardin A (2), a diarylether-biphenyl type macrocyclic bis(bibenzyl) was carried out by systematic unbounded multiple minimum search (SUMM). Mobility of the macrocyclic rings was analysed by variable temperature 1H-NMR study. Molecular similarity analysis was performed on the minimum energy conformers of 1 and 2 comparing their steric, electrostatic and hydrophobic properties. Correlation between complexation properties and calmodulin inhibitor activity was established. Differences in steric and electrostatic profiles may be responsible for the reduced Ca2+ affinity and activity of 2.

Zusätzliches Material: 5 Ill.

Materialart: Digitale Medien

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