| A TOPological Sub-structural Molecular Design (TOPS-MODE)-QSAR approach for modeling the antiproliferative activity against murine leukemia tumor cell line (L1210). | |
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MedLine Citation:
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PMID: 19114309 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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Lately, Quantitative Structure-Activity Relationship (QSAR) studies have been afar used to predict anticancer activity taking into account different molecular descriptors, statistical techniques, cell lines and data set of congeneric and non-congeneric compounds. Herein we report a QSAR study based on a TOPological Sub-structural Molecular Design (TOPS-MODE) approach, aiming at predicting the anticancer leukemia activity of a diverse data set of indolocarbazoles derivatives. Finally, several aspects of the structural activity relationships are discussed in terms of the contribution of different bonds to the anticancer activity, thereby making the relationship between structure and biological activity more transparent. |
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Authors:
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Reinaldo Molina-Ruiz; Liane Saíz-Urra; J E Rodríguez-Borges; Yunierkis Pérez-Castillo; Maykel Pérez González; Xerardo García-Mera; M Natália D S Cordeiro |
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Publication Detail:
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Type: Journal Article; Research Support, Non-U.S. Gov't Date: 2008-12-13 |
Journal Detail:
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Title: Bioorganic & medicinal chemistry Volume: 17 ISSN: 1464-3391 ISO Abbreviation: Bioorg. Med. Chem. Publication Date: 2009 Jan |
Date Detail:
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Created Date: 2009-01-26 Completed Date: 2009-03-27 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9413298 Medline TA: Bioorg Med Chem Country: England |
Other Details:
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Languages: eng Pagination: 537-47 Citation Subset: IM |
Affiliation:
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CIQ, Department of Chemistry, University of Porto, 4169-007 Porto, Portugal. |
Export Citation:
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APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
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Animals Antineoplastic Agents / chemical synthesis*, pharmacology Carbazoles Cell Line, Tumor Cell Proliferation / drug effects Mice Models, Molecular* Quantitative Structure-Activity Relationship* |
| Chemical | |
Reg. No./Substance:
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0/Antineoplastic Agents; 0/Carbazoles |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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