PARAMETRIZATION OF THE ORIENTATIONAL EFFECTS IN THE DRUG-RECEPTOR INTERACTION                         INTERACTION

Author	dc.contributor.author	Gómez Jeria, Juan
Author	dc.contributor.author	Ojeda Vergara, Mario	es_CL
Admission date	dc.date.accessioned	2012-05-30T15:44:42Z
Available date	dc.date.available	2012-05-30T15:44:42Z
Publication date	dc.date.issued	2003-09-22
Cita de ítem	dc.identifier.citation	J. Chil. Chem. Soc., Vol. 48, Nº 4, 2003.	es_CL
Identifier	dc.identifier.issn	0717-9707
Identifier	dc.identifier.uri	https://repositorio.uchile.cl/handle/2250/119434
Abstract	dc.description.abstract	We present a physically based treatment of the molecular rotational partition function for the case of the interaction of a macromolecular receptor with a small biologically active molecule. This leads to the proposal of a new substituent para meter that we call the Orientational Para meter. Its physical interpretation is that it gives an account of the substituent's influence on the percentage of molecules achieving the correct orientation to interact with the receptor. Finally we propose a universal way to calculate its values, avoiding the need of building long tables. A comparison between the old and new ways to calculate it is presented. We provide here an example to show its usefulness in QSAR studies	es_CL
Lenguage	dc.language.iso	en	es_CL
Publisher	dc.publisher	Sociedad Chilena de Química	es_CL
Título	dc.title	PARAMETRIZATION OF THE ORIENTATIONAL EFFECTS IN THE DRUG-RECEPTOR INTERACTION INTERACTION	es_CL
Document type	dc.type	Artículo de revista