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Titolo:
THEORETICAL-STUDY OF THE COMPLEXATION OF AMPHOTERICIN-B WITH STEROLS
Autore:
LANGLET J; BERGES J; CAILLET J; DEMARET JP;
Indirizzi:
UNIV PARIS 06,4 PL JUSSIEU F-75005 PARIS FRANCE INST CURIE,LPCB F-75231 PARIS 05 FRANCE UNIV PARIS 06 F-75231 PARIS 05 FRANCE
Titolo Testata:
Biochimica et biophysica acta. Biomembranes
fascicolo: 1, volume: 1191, anno: 1994,
pagine: 79 - 93
SICI:
0005-2736(1994)1191:1<79:TOTCOA>2.0.ZU;2-Z
Fonte:
ISI
Lingua:
ENG
Soggetto:
MOLECULAR CHARGE-DISTRIBUTION; CONFORMATIONAL-ANALYSIS; MACROLIDE ANTIBIOTICS; CHOLESTEROL; DYNAMICS; ERGOSTEROL; LIPOSOMES; P-31-NMR; ABINITIO;
Keywords:
AMPHOTERICIN; WATER; STEROL; COMPLEXATION;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Science Citation Index Expanded
Citazioni:
38
Recensione:
Indirizzi per estratti:
Citazione:
J. Langlet et al., "THEORETICAL-STUDY OF THE COMPLEXATION OF AMPHOTERICIN-B WITH STEROLS", Biochimica et biophysica acta. Biomembranes, 1191(1), 1994, pp. 79-93

Abstract

The aim of this present work was the study of the intermolecular complexes between amphotericin B (AmB) and either cholesterol or ergosterol. In such complexes the intermolecular interaction energy mainly proceeds from both Van der Waals and H-bonding (via water molecules) forces. Our calculations have shown that the Van der Waals forces slightly favor the AmB-ergosterol complex. Several relative positions of the sterol with regard to AmB lead to energy minima: sterol may be either incontact with the AmB polar head or repelled towards the end of the macrolide ring. It appeared that the role played by some water moleculeswas to maintain the sterol close to the AmB polar head.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 12/07/20 alle ore 11:30:17