PARAMETRIZATION OF THE ORIENTATIONAL EFFECTS IN THE DRUG-RECEPTOR INTERACTlON.

Author	dc.contributor.author	Gómez Jeria, Juan
Admission date	dc.date.accessioned	2012-01-26T14:16:44Z
Available date	dc.date.available	2012-01-26T14:16:44Z
Publication date	dc.date.issued	2003-09-22
Cita de ítem	dc.identifier.citation	Journal of the Chilean Chemical Society, 48, Nº 4, 2003.	es_CL
Identifier	dc.identifier.issn	0717-9324
Identifier	dc.identifier.uri	https://repositorio.uchile.cl/handle/2250/119387
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 parameter that we call the Orientational Parameter. 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 shown 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 INTERACTlON.	es_CL
Document type	dc.type	Artículo de revista