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Titolo:
Conformational preferences of non-nucleoside HIV-1 reverse transcriptase inhibitors
Autore:
Parreira, RLT; Abrahao, O; Galembeck, SE;
Indirizzi:
Univ Sao Paulo, Lab Modelagem Mol, Dept Quim, Fac Filosofia Ciencias & Letras Ribeirao Preto, BR-14040901 Ribeirao Preto, SP, Brazil Univ Sao Paulo Ribeirao Preto SP Brazil BR-14040901 BCo Preto, SP, Brazil
Titolo Testata:
TETRAHEDRON
fascicolo: 16, volume: 57, anno: 2001,
pagine: 3243 - 3253
SICI:
0040-4020(20010416)57:16<3243:CPONHR>2.0.ZU;2-U
Fonte:
ISI
Lingua:
ENG
Soggetto:
MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; HYDROGEN-BOND; 2-PYRIDINONE DERIVATIVES; NONNUCLEOSIDE INHIBITOR; ORGANIC-MOLECULES; C-H...O; ANALOGS; DESIGN; NNRTIS;
Keywords:
AIDS; intramolecular interactions; hydrogen bonds; pi-interactions; natural bond orbital analysis;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Physical, Chemical & Earth Sciences
Citazioni:
58
Recensione:
Indirizzi per estratti:
Indirizzo: Galembeck, SE Univ Sao Paulo, Lab Modelagem Mol, Dept Quim, Fac Filosofia Ciencias & Letras Ribeirao Preto, Avenida Bandeirantes 3900, BR-14040901 Ribeirao Preto, SP, Brazil Univ Sao Paulo Avenida Bandeirantes 3900 Ribeirao Preto SP Brazil BR-14040901 BC
Citazione:
R.L.T. Parreira et al., "Conformational preferences of non-nucleoside HIV-1 reverse transcriptase inhibitors", TETRAHEDRON, 57(16), 2001, pp. 3243-3253

Abstract

The non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTI) are aclass of compounds that present a common butterfly-like conformation. In the present study, the intramolecular factors that contribute to this conformation were studied. Hydrogen bonds have been analysed by geometric and electrostatic criteria. Only the former allow the elucidation of the relative intensity of hydrogen bonds. The interaction between aromatic rings may contribute to the preferential conformation. For some other NNRTI, it is not possible to explain the butterfly-like conformation on the basis of hydrogenbond and aromatic interactions. (C) 2001 Elsevier Science Ltd. All rights reserved.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 28/09/20 alle ore 14:42:36