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A TOPological Sub-structural Molecular Design (TOPS-MODE)-QSAR approach for modeling the antiproliferative activity against murine leukemia tumor cell line (L1210)
- Source :
- Bioorganicmedicinal chemistry. 17(2)
- Publication Year :
- 2008
-
Abstract
- 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.
- Subjects :
- Models, Molecular
Quantitative structure–activity relationship
Molecular model
Rebeccamycin
Clinical Biochemistry
Carbazoles
Pharmaceutical Science
Quantitative Structure-Activity Relationship
Antineoplastic Agents
Topology
Indolocarbazole
Biochemistry
chemistry.chemical_compound
Mice
Molecular descriptor
Cell Line, Tumor
Drug Discovery
medicine
Animals
Molecular Biology
Topology (chemistry)
Cell Proliferation
Chemistry
Organic Chemistry
Biological activity
Topological index
Molecular Medicine
medicine.drug
Subjects
Details
- ISSN :
- 14643391
- Volume :
- 17
- Issue :
- 2
- Database :
- OpenAIRE
- Journal :
- Bioorganicmedicinal chemistry
- Accession number :
- edsair.doi.dedup.....7ce824444a52bedb70792f97d72c0b01