Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 박혜영 | * |
dc.contributor.author | 최선 | * |
dc.date.accessioned | 2016-08-28T12:08:23Z | - |
dc.date.available | 2016-08-28T12:08:23Z | - |
dc.date.issued | 2009 | * |
dc.identifier.issn | 0272-4391 | * |
dc.identifier.other | OAK-5939 | * |
dc.identifier.uri | https://dspace.ewha.ac.kr/handle/2015.oak/220269 | - |
dc.description.abstract | Most quinones with 2-4 fused aromatic rings exhibit cytostatic activity via DNA intercalation that causes enzyme blockade and reading errors during the replication process. The redox activity of quinones plays a role in the DNA cleavage mediated by oxygen or sulfur radicals. To develop novel anticancer agents based on nitrogen-containing heterocyclic quinones, pharmacophore models of representative molecules with high activity were generated using Genetic Algorithm with Linear Assignment of Hypermolecular Alignment of Database (GALAHAD). A series of compounds were aligned to the selected pharmacophore model and the 3D-quantitative structure activity relationships (QSAR) were analyzed using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA), resulting in q 2 values of 0.734 and r 2 of 0.951, and q 2 of 0.803 and r 2 of 0.917, respectively, in each study. In addition, the potentials for the one-electron reduction of quinones were calculated from LUMO energies using the semi-empirical Austin Model 1 (AM1) method. These also showed a good correlation (r 2 of 0.816) with the cytotoxic activities of the quinones. © 2009 Wiley-Liss, Inc. | * |
dc.language | English | * |
dc.title | 3D-QSAR studies of cytotoxic heterocyclic quinones using calculated reduction potential | * |
dc.type | Article | * |
dc.relation.issue | 6 | * |
dc.relation.volume | 70 | * |
dc.relation.index | SCI | * |
dc.relation.index | SCIE | * |
dc.relation.index | SCOPUS | * |
dc.relation.startpage | 438 | * |
dc.relation.lastpage | 444 | * |
dc.relation.journaltitle | Drug Development Research | * |
dc.identifier.doi | 10.1002/ddr.20320 | * |
dc.identifier.wosid | WOS:000270431900004 | * |
dc.identifier.scopusid | 2-s2.0-70349280101 | * |
dc.author.google | Lee Y. | * |
dc.author.google | Kim S. | * |
dc.author.google | Rhee H.-K. | * |
dc.author.google | Doh K.-E. | * |
dc.author.google | Park J. | * |
dc.author.google | Lee C.-O. | * |
dc.author.google | Choi S. | * |
dc.author.google | Choo H.-Y.P. | * |
dc.contributor.scopusid | 박혜영(34972649500;57200273796) | * |
dc.contributor.scopusid | 최선(8659831000) | * |
dc.date.modifydate | 20240305081003 | * |