ArticleMolecules (Basel, Switzerland)2009
Modeling the LPS neutralization activity of anti-endotoxins.
Article in Molecules (Basel, Switzerland), 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
7 citing papers in PubMed, 27 citations in OpenAlex.
- Exploring the chemical space of aromatase inhibitors.Molecular diversity · 2013Article
- Quantitative population-health relationship (QPHR) for assessing metabolic syndrome.EXCLI journal · 2013Article
- Synthesis and computational investigation of molecularly imprinted nanospheres for selective recognition of alpha-tocopherol succinate.EXCLI journal · 2013Article
- QSAR study of anti-prion activity of 2-aminothiazoles.EXCLI journal · 2012Article
- PyBact: an algorithm for bacterial identification.EXCLI journal · 2011Article
- Elucidating the structure-activity relationships of the vasorelaxation and antioxidation properties of thionicotinic acid derivatives.Molecules (Basel, Switzerland) · 2010Article
- Synthesis and theoretical study of molecularly imprinted nanospheres for recognition of tocopherols.Molecules (Basel, Switzerland) · 2009Article
Corrections and comments
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Authors and funding
7 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
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 pro-inflammatory 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 cross-validation 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.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.