Publication: Rational and efficient geometric definition of pharmacophores is essential for the patent process
Issued Date
2006-11-01
Resource Type
ISSN
13596446
Other identifier(s)
2-s2.0-33750087317
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Mahidol University
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SCOPUS
Bibliographic Citation
Drug Discovery Today. Vol.11, No.21-22 (2006), 991-998
Suggested Citation
Georges Alexandre Guérin, Jaturong Pratuangdejkul, Monica Alemany, Jean Marie Launay, Philippe Manivet Rational and efficient geometric definition of pharmacophores is essential for the patent process. Drug Discovery Today. Vol.11, No.21-22 (2006), 991-998. doi:10.1016/j.drudis.2006.09.003 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/23899
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Title
Rational and efficient geometric definition of pharmacophores is essential for the patent process
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.