DSpace at EWHA: Structure tuning of pyrazolylpyrrole derivatives as ERK inhibitors utilizing dual tools; 3D-QSAR and side-chain hopping

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DC Field	Value	Language
dc.contributor.author	류재상	*
dc.date.accessioned	2016-08-28T12:08:01Z	-
dc.date.available	2016-08-28T12:08:01Z	-
dc.date.issued	2011	*
dc.identifier.issn	0960-894X	*
dc.identifier.other	OAK-7812	*
dc.identifier.uri	https://dspace.ewha.ac.kr/handle/2015.oak/221818	-
dc.description.abstract	The ERK pathway is a well-known therapeutic target of cancer treatment with great advantage of selectivity between normal cells and cancer cells, and the number of direct ERK kinase inhibitors is quite limited considering large number of available ERK structure from PDB. Therefore, we tried to combine 3D-QSAR with side-chain hopping in an attempt to produce novel structures as ERK inhibitors. The predictive models with q 2 value of 0.867, r 2 value of 0.991 in CoMFA and q 2 value of 0.628, r 2 value of 0.950 in CoMSIA were used to select effective compounds from new library generated from side-chain hopping by CombiGlide. © 2011 Elsevier Ltd. All rights reserved.	*
dc.language	English	*
dc.title	Structure tuning of pyrazolylpyrrole derivatives as ERK inhibitors utilizing dual tools; 3D-QSAR and side-chain hopping	*
dc.type	Article	*
dc.relation.issue	16	*
dc.relation.volume	21	*
dc.relation.index	SCI	*
dc.relation.index	SCIE	*
dc.relation.index	SCOPUS	*
dc.relation.startpage	4900	*
dc.relation.lastpage	4904	*
dc.relation.journaltitle	Bioorganic and Medicinal Chemistry Letters	*
dc.identifier.doi	10.1016/j.bmcl.2011.06.016	*
dc.identifier.wosid	WOS:000293168000049	*
dc.identifier.scopusid	2-s2.0-79960894788	*
dc.author.google	Kim M.-H.	*
dc.author.google	Chung J.Y.	*
dc.author.google	Ryu J.-S.	*
dc.author.google	Hah J.-M.	*
dc.contributor.scopusid	류재상(36081118200)	*
dc.date.modifydate	20231120165709	*