3D-QSAR studies on lipid peroxidation inhibitory activity of chromone derivatives
© 2016, Springer Science+Business Media New York. Lipid peroxidation has been implicated in disease states such as atherosclerosis, asthma, neurodegenerative disorders, Parkinson’s disease, cancer, etc. In this study, the anti-lipid peroxidation activity for a series of chromone compounds, evaluated...
Saved in:
Main Authors: | , |
---|---|
Other Authors: | |
Format: | Article |
Published: |
2018
|
Subjects: | |
Online Access: | https://repository.li.mahidol.ac.th/handle/123456789/43361 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Institution: | Mahidol University |
id |
th-mahidol.43361 |
---|---|
record_format |
dspace |
spelling |
th-mahidol.433612019-03-14T15:04:25Z 3D-QSAR studies on lipid peroxidation inhibitory activity of chromone derivatives Narumol Phosrithong Jiraporn Ungwitayatorn Siam University Mahidol University Chemistry © 2016, Springer Science+Business Media New York. Lipid peroxidation has been implicated in disease states such as atherosclerosis, asthma, neurodegenerative disorders, Parkinson’s disease, cancer, etc. In this study, the anti-lipid peroxidation activity for a series of chromone compounds, evaluated in vitro by ferric thiocyanate and thiobarbituric acid assays, were subjected to three-dimensional quantitative structure-activity relationship studies using comparative molecular field analysis and comparative molecular similarity indices analysis. From ferric thiocyanate assay, the best comparative molecular field analysis and comparative molecular similarity indices analysis models gave cross-validated r2(q2) = 0.563 and 0.593 and non cross-validated r2= 0.974 and 0.929, respectively. The best comparative molecular field analysis and comparative molecular similarity indices analysis models derived from thiobarbituric acid assay gave q2= 0.558 and 0.612, and non cross-validated r2= 0.959 and 0.919, respectively. The generated hydrogen donor contour maps support the previously reported structure-activity relationship that the presence of a catechol moiety in ring A is essential for high potency. 2018-12-11T02:32:02Z 2019-03-14T08:04:25Z 2018-12-11T02:32:02Z 2019-03-14T08:04:25Z 2016-10-01 Article Medicinal Chemistry Research. Vol.25, No.10 (2016), 2368-2379 10.1007/s00044-016-1690-z 15548120 10542523 2-s2.0-84982840951 https://repository.li.mahidol.ac.th/handle/123456789/43361 Mahidol University SCOPUS https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84982840951&origin=inward |
institution |
Mahidol University |
building |
Mahidol University Library |
continent |
Asia |
country |
Thailand Thailand |
content_provider |
Mahidol University Library |
collection |
Mahidol University Institutional Repository |
topic |
Chemistry |
spellingShingle |
Chemistry Narumol Phosrithong Jiraporn Ungwitayatorn 3D-QSAR studies on lipid peroxidation inhibitory activity of chromone derivatives |
description |
© 2016, Springer Science+Business Media New York. Lipid peroxidation has been implicated in disease states such as atherosclerosis, asthma, neurodegenerative disorders, Parkinson’s disease, cancer, etc. In this study, the anti-lipid peroxidation activity for a series of chromone compounds, evaluated in vitro by ferric thiocyanate and thiobarbituric acid assays, were subjected to three-dimensional quantitative structure-activity relationship studies using comparative molecular field analysis and comparative molecular similarity indices analysis. From ferric thiocyanate assay, the best comparative molecular field analysis and comparative molecular similarity indices analysis models gave cross-validated r2(q2) = 0.563 and 0.593 and non cross-validated r2= 0.974 and 0.929, respectively. The best comparative molecular field analysis and comparative molecular similarity indices analysis models derived from thiobarbituric acid assay gave q2= 0.558 and 0.612, and non cross-validated r2= 0.959 and 0.919, respectively. The generated hydrogen donor contour maps support the previously reported structure-activity relationship that the presence of a catechol moiety in ring A is essential for high potency. |
author2 |
Siam University |
author_facet |
Siam University Narumol Phosrithong Jiraporn Ungwitayatorn |
format |
Article |
author |
Narumol Phosrithong Jiraporn Ungwitayatorn |
author_sort |
Narumol Phosrithong |
title |
3D-QSAR studies on lipid peroxidation inhibitory activity of chromone derivatives |
title_short |
3D-QSAR studies on lipid peroxidation inhibitory activity of chromone derivatives |
title_full |
3D-QSAR studies on lipid peroxidation inhibitory activity of chromone derivatives |
title_fullStr |
3D-QSAR studies on lipid peroxidation inhibitory activity of chromone derivatives |
title_full_unstemmed |
3D-QSAR studies on lipid peroxidation inhibitory activity of chromone derivatives |
title_sort |
3d-qsar studies on lipid peroxidation inhibitory activity of chromone derivatives |
publishDate |
2018 |
url |
https://repository.li.mahidol.ac.th/handle/123456789/43361 |
_version_ |
1763490469305647104 |