Please use this identifier to cite or link to this item: http://hdl.handle.net/11455/68233
DC FieldValueLanguage
dc.contributor.authorLin, G.L.en_US
dc.contributor.authorYu, G.Y.en_US
dc.date2005zh_TW
dc.date.accessioned2014-06-11T05:56:29Z-
dc.date.available2014-06-11T05:56:29Z-
dc.identifier.issn0960-894Xzh_TW
dc.identifier.urihttp://hdl.handle.net/11455/68233-
dc.description.abstract1-Acyloxy-3-N-n-octylcarbamyl-benzenes are potent reversible competitive inhibitors of Naja mocambique mocambique phospholipase A(2) with the K-i values from 9.6 to 119 μ M. The pK(i) values are correlated to both Taft substituent constant σ(*) and Hansch hydrophobicity constant π. The pre-steady state inhibition studies indicate that the pK(s) values for the first inhibition step are linearly correlated to σ(*) alone with the p(*) of -0.09 for this correlation. Thus, the first inhibition step may involve the insertion of the inhibitor to hepta-coordinated Ca2+ ion of the enzyme to form the octa-coordinated Ca2+ ion of the enzyme. The log(k(2)/k(-2)) values for the second inhibition step are linearly correlated to 71 alone, and the ψ value for this correlation is 0.13. Therefore, the second step inhibition step may involve the van der Waals' interaction between the acyl group of the inhibitor and Tyr 69 of the enzyme. © 2005 Elsevier Ltd. All rights reserved.en_US
dc.language.isoen_USzh_TW
dc.relationBioorganic & Medicinal Chemistry Lettersen_US
dc.relation.ispartofseriesBioorganic & Medicinal Chemistry Letters, Volume 15, Issue 9, Page(s) 2405-2408.en_US
dc.relation.urihttp://dx.doi.org/10.1016/j.bmcl.2005.02.092en_US
dc.subjectphospholipase A(2)en_US
dc.subjectQSARen_US
dc.subjectenzyme mechanismen_US
dc.subjectcarbamate inhibitoren_US
dc.subjectstructure-reactivity relationshipsen_US
dc.subjectcross-interaction correlationsen_US
dc.subjecttransition-state analogen_US
dc.subjectpancreatic cholesterol esteraseen_US
dc.subjectacetylcholinesterase inhibitionen_US
dc.subjectelementary processesen_US
dc.subjectbenzeneboronicen_US
dc.subjectaciden_US
dc.subjectmechanismsen_US
dc.subjectprobesen_US
dc.subjectproteaseen_US
dc.titleQSAR for phospholipase A(2) inhibitions by 1-acyloxy-3-N-n-octylcarbamyl-benzenesen_US
dc.typeJournal Articlezh_TW
dc.identifier.doi10.1016/j.bmcl.2005.02.092zh_TW
item.openairetypeJournal Article-
item.fulltextno fulltext-
item.grantfulltextnone-
item.languageiso639-1en_US-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
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