Abstract
Chalcones are a group of plant-derived polyphenolic compounds belonging to the flavonoids family and possess a wide variety of cytoprotective and modulatory functions. In this research we tried to review the anticancer effect of chalcones derivatives and to evaluate new QSARs which will help in the understanding of the role of chalcones and of their analogs on cancer. Simultaneously a comparative study will be presented. Our QSAR results reveal that: 1) the clog P (hydrophobicity/hydrophilicity) parameter plays an important part in three QSAR relationships (linear model), 2) the steric factors such as molar volume MgVol, molar refractivity CMR or the substituents molar refractivity MR (linear) are important. Electronic effects are comparatively unimportant. These results compared to our previous findings on the QSAR of anti-proliferative chalcones support primarily the role of bulk.
Keywords: Chalcones, anticancer activity, cytoprotection, QSAR, lipophilicity, steric factors.
Mini-Reviews in Medicinal Chemistry
Title:Chalcones in Cancer: Understanding their Role in Terms of QSAR. II Part
Volume: 13 Issue: 7
Author(s): A. Repanas, A.M. Katsori and D. Hadjipavlou-Litina
Affiliation:
Keywords: Chalcones, anticancer activity, cytoprotection, QSAR, lipophilicity, steric factors.
Abstract: Chalcones are a group of plant-derived polyphenolic compounds belonging to the flavonoids family and possess a wide variety of cytoprotective and modulatory functions. In this research we tried to review the anticancer effect of chalcones derivatives and to evaluate new QSARs which will help in the understanding of the role of chalcones and of their analogs on cancer. Simultaneously a comparative study will be presented. Our QSAR results reveal that: 1) the clog P (hydrophobicity/hydrophilicity) parameter plays an important part in three QSAR relationships (linear model), 2) the steric factors such as molar volume MgVol, molar refractivity CMR or the substituents molar refractivity MR (linear) are important. Electronic effects are comparatively unimportant. These results compared to our previous findings on the QSAR of anti-proliferative chalcones support primarily the role of bulk.
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Repanas A., Katsori A.M. and Hadjipavlou-Litina D., Chalcones in Cancer: Understanding their Role in Terms of QSAR. II Part, Mini-Reviews in Medicinal Chemistry 2013; 13 (7) . https://dx.doi.org/10.2174/1389557511313070002
DOI https://dx.doi.org/10.2174/1389557511313070002 |
Print ISSN 1389-5575 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5607 |
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