Endothelin antagonists: search for surrogates of methylendioxyphenyl by means of a Kohonen neural network

Autor:	S, Anzali, W W, Mederski, M, Osswald, D, Dorsch
Rok vydání:	1999
Předmět:	Structure-Activity Relationship Cytochrome P-450 Enzyme System Endothelins Dioxoles Neural Networks Computer Substrate Specificity
Zdroj:	Bioorganicmedicinal chemistry letters. 8(1)
ISSN:	0960-894X
Popis:	The methylendioxyphenyl group, present in a number of potent endothelin receptor antagonists, could have undesirable metabolic interactions with cytochrome P450 in vivo. Using a self-organizing neural network we analysed the features of molecular electrostatic potentials of several endothelin receptor ligands. A library of small "fragments and functional groups" together with their corresponding Kohonen maps was generated. By means of this Kohonen map library we discovered the benzothiadiazole group as a surrogate for methylendioxyphenyl.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=pmid________::3a0103f6d31c7a8070938ab6b424c29e https://pubmed.ncbi.nlm.nih.gov/9871620 Zobrazit plný text záznamu Full Text from ScienceDirect