A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds – identification of those isosteres more likely to have beneficial effects

Autor:	Charles John O'donnell, Adam Douglas, Alexander G. Dossetter
Rok vydání:	2012
Předmět:	Pharmacology Chemistry Stereochemistry Organic Chemistry Pharmaceutical Science Metabolic stability Ring (chemistry) Biochemistry In vitro chemistry.chemical_compound Drug Discovery Microsome Molecular Medicine Matched molecular pair analysis Benzene Beneficial effects
Zdroj:	MedChemComm. 3:1164
ISSN:	2040-2511 2040-2503
DOI:	10.1039/c2md20155k
Popis:	A matched molecular pair analysis (MMPA) was used to study the classic medicinal chemistry transformation of a di-substituted benzene into a heterocyclic ring. Matched pairs were identified for 45 heterocyclic transforms (5 and 6 membered rings) and in vitro human microsomal stability analysed. Of these, 12 transforms showed significant beneficial increase in stability, suggesting these heterocycles as preferred changes during compound optimisation.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::9c9f89121acdf1161b974a2d92d5f9af https://doi.org/10.1039/c2md20155k Zobrazit plný text záznamu