Next Article in Journal
Degradation of Microcystin-LR and RR by a Stenotrophomonas sp. Strain EMS Isolated from Lake Taihu, China
Next Article in Special Issue
A Review on Progress in QSPR Studies for Surfactants
Previous Article in Journal
Miniaturization in Biocatalysis
Previous Article in Special Issue
Prediction of Skin Sensitization with a Particle Swarm Optimized Support Vector Machine
Article Menu

Export Article

Open AccessArticle
Int. J. Mol. Sci. 2010, 11(3), 880-895; doi:10.3390/ijms11030880

QSAR Studies on Andrographolide Derivatives as α-Glucosidase Inhibitors

1
Pharmacy College, Jinan University, Guangzhou, 510632, China
2
School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou, 510275, China
*
Authors to whom correspondence should be addressed.
Received: 22 January 2010 / Revised: 2 February 2010 / Accepted: 3 February 2010 / Published: 2 March 2010
(This article belongs to the Special Issue Recent Advances in QSAR/QSPR Theory)
View Full-Text   |   Download PDF [456 KB, uploaded 19 June 2014]   |  

Abstract

Andrographolide derivatives were shown to inhibit α-glucosidase. To investigate the relationship between activities and structures of andrographolide derivatives, a training set was chosen from 25 andrographolide derivatives by the principal component analysis (PCA) method, and a quantitative structure-activity relationship (QSAR) was established by 2D and 3D QSAR methods. The cross-validation r2 (0.731) and standard error (0.225) illustrated that the 2D-QSAR model was able to identify the important molecular fragments and the cross-validation r2 (0.794) and standard error (0.127) demonstrated that the 3D-QSAR model was capable of exploring the spatial distribution of important fragments. The obtained results suggested that proposed combination of 2D and 3D QSAR models could be useful in predicting the α-glucosidase inhibiting activity of andrographolide derivatives. View Full-Text
Keywords: andrographolide; QSAR; α-glucosidase; HQSAR andrographolide; QSAR; α-glucosidase; HQSAR
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

Xu, J.; Huang, S.; Luo, H.; Li, G.; Bao, J.; Cai, S.; Wang, Y. QSAR Studies on Andrographolide Derivatives as α-Glucosidase Inhibitors. Int. J. Mol. Sci. 2010, 11, 880-895.

Show more citation formats Show less citations formats

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top