QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices

Melagraki, G; Afantitis, A; Sarimveis, H; Igglessi-Markopoulou, O; Supuran, CT

dc.contributor.author	Melagraki, G	en
dc.contributor.author	Afantitis, A	en
dc.contributor.author	Sarimveis, H	en
dc.contributor.author	Igglessi-Markopoulou, O	en
dc.contributor.author	Supuran, CT	en
dc.date.accessioned	2014-03-01T01:24:54Z
dc.date.available	2014-03-01T01:24:54Z
dc.date.issued	2006	en
dc.identifier.issn	0968-0896	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/17506
dc.subject	Carbonic anhydrase	en
dc.subject	QSAR	en
dc.subject	Sulfonamides	en
dc.subject	Topological indices	en
dc.subject.classification	Biochemistry & Molecular Biology	en
dc.subject.classification	Chemistry, Medicinal	en
dc.subject.classification	Chemistry, Organic	en
dc.subject.other	aromatic compound	en
dc.subject.other	carbonate dehydratase II	en
dc.subject.other	carbonate dehydratase inhibitor	en
dc.subject.other	sulfonamide	en
dc.subject.other	article	en
dc.subject.other	drug activity	en
dc.subject.other	drug information	en
dc.subject.other	drug structure	en
dc.subject.other	mathematical analysis	en
dc.subject.other	quantitative structure activity relation	en
dc.subject.other	step wise multiple regression	en
dc.subject.other	Carbonic Anhydrase II	en
dc.subject.other	Carbonic Anhydrase Inhibitors	en
dc.subject.other	Molecular Structure	en
dc.subject.other	Quantitative Structure-Activity Relationship	en
dc.subject.other	Sulfonamides	en
dc.title	QSAR study on para-substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.bmc.2005.09.038	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.bmc.2005.09.038	en
heal.language	English	en
heal.publicationDate	2006	en
heal.abstract	A linear quantitative structure-activity relationship has been developed for a series of para-substituted aromatic sulfonamides by using topological index methodologies. The compounds were studied for their carbonic anhydrase II (CAII) inhibitory activity. A large series of topological indices were calculated and the stepwise regression method was used to derive the most significant model. Very good results were obtained using multi-parametric regressions and showed that the information approach used in the present work is quite useful for modeling carbonic anhydrase inhibition. (c) 2005 Elsevier Ltd. All rights reserved.	en
heal.publisher	PERGAMON-ELSEVIER SCIENCE LTD	en
heal.journalName	Bioorganic and Medicinal Chemistry	en
dc.identifier.doi	10.1016/j.bmc.2005.09.038	en
dc.identifier.isi	ISI:000234909700024	en
dc.identifier.volume	14	en
dc.identifier.issue	4	en
dc.identifier.spage	1108	en
dc.identifier.epage	1114	en