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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 554-5563D QSAR Studies on Cytotoxicity of Ent-Kauranoids...

3D QSAR Studies on Cytotoxicity of Ent-Kauranoids against K562 Cells by CoMFA

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Abstract:

AIM: To establish the CoMFA models of the ent-kauranoids and give the theoretical basis to guide the design of the new drug. METHODS and RESULTS: The advanced 3D-QSAR method CoMFA ( comparative molecular field analysis) was used to study the ent-kauranoids on cytotoxicity in vitro agsinst k562 cells and leaded to one CoMFA models of these data. The Crossvalidated coefficient q² of one model reached 0.561, the non-crossvalidated coefficient r² was up to 0.999, standard deviation was 0.029. CONCLUSION: In the series of ent-kauranoids the CoMFA models reveal the relationship between their bioactivities and structures, these results are helpful to the further design work to find new natural drugs and lead compound with higher bioactivity.

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Advances in Chemistry Research II

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Periodical:

Advanced Materials Research (Volumes 554-556)

Pages:

1853-1856

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.554-556.1853

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Online since:

July 2012

Authors:

Ping Yi, Jin Yang, Du Shu Huang

Keywords:

3D-QSAR, CoMFA, Ent-Kauranoids, K562 Cell

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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