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查耳酮类化合物在癌症中的作用:从 QSAR 角度理解。第二部分。

Chalcones in cancer: understanding their role in terms of QSAR. II part.

机构信息

Department of Pharmaceutical Chemistry, School of Pharmacy, Aristotle University of Thessaloniki, Thessaloniki 54124, Greece.

出版信息

Mini Rev Med Chem. 2013 Jun;13(7):952-70. doi: 10.2174/1389557511313070002.

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.

摘要

查耳酮是一类植物来源的多酚类化合物,属于黄酮类家族,具有广泛的细胞保护和调节功能。在这项研究中,我们试图综述查耳酮衍生物的抗癌作用,并评估新的定量构效关系(QSARs),以帮助理解查耳酮及其类似物在癌症中的作用。同时还将呈现一项比较研究。我们的 QSAR 结果表明:1)clog P(疏水性/亲水性)参数在三个 QSAR 关系(线性模型)中起着重要作用;2)立体因素,如摩尔体积 MgVol、摩尔折射度 CMR 或取代基摩尔折射度 MR(线性),是重要的。电子效应相对不重要。与我们之前关于抗增殖查耳酮的 QSAR 研究结果相比,这些结果主要支持体积的作用。

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