Simple jQuery Dropdowns
Please use this identifier to cite or link to this item: http://repository.li.mahidol.ac.th/dspace/handle/123456789/2107
Title: Modeling the LPS neutralization activity of anti-endotoxins
Authors: Chadinee Thippakorn
Thummaruk Suksrichavalit
Chanin Nantasenamat
Tanawut Tantimongcolwat
Chartchalerm Isarankura-Na-Ayudhya
Thanakorn Naenna
Virapong Prachayasittikul
Keywords: lipopolysaccharide;endotoxin;anti-endotoxin;artificial neural network;QSAR;Open Access article
Issue Date: 2009
Citation: Molecules. Vol.14, No.5 (2009), 1869-1888
Abstract: Bacterial lipopolysaccharides (LPS), also known as endotoxins, are major structural components of the outer membrane of Gram-negative bacteria that serve as a barrier and protective shield between them and their surrounding environment. LPS is considered to be a major virulence factor as it strongly stimulates the secretion of proinflammatory cytokines which mediate the host immune response and culminating in septic shock. Quantitative structure-activity relationship studies of the LPS neutralization activities of anti-endotoxins were performed using charge and quantum chemical descriptors. Artificial neural network implementing the back-propagation algorithm was selected for the multivariate analysis. The predicted activities from leave-one-out crossvalidation were well correlated with the experimental values as observed from the correlation coefficient and root mean square error of 0.930 and 0.162, respectively. Similarly, the external testing set also yielded good predictivity with correlation coefficient and root mean square error of 0.983 and 0.130. The model holds great potential for the rational design of novel and robust compounds with enhanced neutralization activity.
URI: http://repository.li.mahidol.ac.th/dspace/handle/123456789/2107
ISSN: 1420-3049
Appears in Collections:MT-Article

Files in This Item:
File Description SizeFormat 
mt-ar-virapong-2009.pdf370.94 kBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.