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Title: Rational and efficient geometric definition of pharmacophores is essential for the patent process
Authors: Georges Alexandre Guérin
Jaturong Pratuangdejkul
Monica Alemany
Jean Marie Launay
Philippe Manivet
BioQuanta Corporation
AP-HP Assistance Publique - Hopitaux de Paris
E.A. 3621
Mahidol University
Institut d'Investigacions Biomèdiques August Pi i Sunyer - IDIBAPS
Keywords: Pharmacology, Toxicology and Pharmaceutics
Issue Date: 1-Nov-2006
Citation: Drug Discovery Today. Vol.11, No.21-22 (2006), 991-998
Abstract: The geometric description of pharmacophores suffers from approximations. No consensus has been clearly established, despite the increasing interest in using pharmacophores in drug design and in patent applications. We therefore propose an original definition of a pharmacophore using spherical coordinates. These coordinates give a precise description of each point using three parameters: distance to a geometric origin and two angles. If necessary, these parameters can be easily and rapidly converted to cartesian coordinates. Our method can guaranty, to the patent applicant, the safe protection of his intellectual property by both improving markedly the readability of a pharmacophore definition and bringing, to the person who is skilled in the art, enough information to understand easily the essence of the invention. © 2006 Elsevier Ltd. All rights reserved.
ISSN: 13596446
Appears in Collections:Scopus 2006-2010

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