Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/328013
Type: Artigo
Title: Analysis Of The Applicability And Use Of Lipinski's Rule For Central Nervous System Drugs
Author: Fernandes
Thais B.; Segretti
Mariana C. F.; Polli
Michelle C.; Parise-Filho
Roberto
Abstract: Lipinski's Rule for central nervous system drugs (RoCNS), reported in 1999, predicts that poor absorption or permeation is more likely when there are more than three hydrogen bond donors (HBD), seven hydrogen bond acceptors (HBA), molecular weight (MW) is greater than 400 Da and CLog P is greater than five. The objective of this work was to evaluate the applicability of RoCNS for drugs approved from 1985 to 2014. Calculated physicochemical properties of central nervous system (CNS) drugs were compared to parameters established by the rule. From 1985 to 1999, 48 drugs were introduced for clinical therapy and 31% unsuited the RoCNS (among which six drugs did not fit within the determined CLog P, four the MW, four the HDA and two the HBD). From 2000 to 2014, 38 drugs were introduced and 32% violated RoCNS parameters (among which eight drugs did not fit within the determined MW, four the HBD, two the HBA and one the CLog P). These findings suggest that even though drugs introduced to the market after RoCNS publication showed a tendency to apply the rule, the application of the rule is similar for both periods. Examining the applicability of the RoCNS, it may serve as a guide for medicinal chemists designing future CNS-active small molecules.
Subject: Drug Design
Central Nervous System
Oral Absorption
Bioavailable
Lipinski's Rule
Editor: Bentham Science Publ Ltd
Sharjah
Citation: Letters In Drug Desing & Discover. Bentham Science Publ Ltd , v. 13, p. 999 - 1006, 2016.
Rights: fechado
Identifier DOI: 10.2174/1570180813666160622092839
Address: https://link.springer.com/article/10.1007/s11128-016-1378-9
Date Issue: 2016
Appears in Collections:Unicamp - Artigos e Outros Documentos

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