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Lead Screening for Chronic Obstructive Pulmonary Disease of IKK2 Inhibited by Traditional Chinese Medicine

Chronic obstructive pulmonary disease (COPD) is a chronic obstructive lung disease and is frequently found in well-developed countries due to the issue of aging populations. Not all forms of medical treatment are unable to return a patient's limited pulmonary function back to normal and eventua...

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Autores principales: Tsou, Yung-An, Huang, Hung-Jin, Lin, Wesley Wen-Yang, Chen, Calvin Yu-Chian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4060305/
https://www.ncbi.nlm.nih.gov/pubmed/24987428
http://dx.doi.org/10.1155/2014/465025
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author Tsou, Yung-An
Huang, Hung-Jin
Lin, Wesley Wen-Yang
Chen, Calvin Yu-Chian
author_facet Tsou, Yung-An
Huang, Hung-Jin
Lin, Wesley Wen-Yang
Chen, Calvin Yu-Chian
author_sort Tsou, Yung-An
collection PubMed
description Chronic obstructive pulmonary disease (COPD) is a chronic obstructive lung disease and is frequently found in well-developed countries due to the issue of aging populations. Not all forms of medical treatment are unable to return a patient's limited pulmonary function back to normal and eventually they could require a lung transplant. At this time, COPD is the leading cause of death in the world. Studies surveying I-kappa-B-kinase beta (IKK2) are very relevant to the occurrence and deterioration of the condition COPD. The sinapic acid-4-O-sulfate, kaempferol, and alpha-terpineol were found to be IKK2 inhibitors and helped prevent COPD occurrence and worsening according to a screening of the traditional Chinese medicine (TCM) database. The protein-ligand interaction of these three compounds with regard to IKK2 was also done by molecular dynamics. The docking poses, hydrogen bond variation, and hydrophobic interactions found Asp103 and Lys106 are crucial to IKK2 binding areas for IKK2 inhibition. Finally, we found the three compounds that have an equally strong effect in terms of IKK2 binding proven by the TCM database and perhaps these may be an alternative treatment for COPD in the future.
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spelling pubmed-40603052014-07-01 Lead Screening for Chronic Obstructive Pulmonary Disease of IKK2 Inhibited by Traditional Chinese Medicine Tsou, Yung-An Huang, Hung-Jin Lin, Wesley Wen-Yang Chen, Calvin Yu-Chian Evid Based Complement Alternat Med Research Article Chronic obstructive pulmonary disease (COPD) is a chronic obstructive lung disease and is frequently found in well-developed countries due to the issue of aging populations. Not all forms of medical treatment are unable to return a patient's limited pulmonary function back to normal and eventually they could require a lung transplant. At this time, COPD is the leading cause of death in the world. Studies surveying I-kappa-B-kinase beta (IKK2) are very relevant to the occurrence and deterioration of the condition COPD. The sinapic acid-4-O-sulfate, kaempferol, and alpha-terpineol were found to be IKK2 inhibitors and helped prevent COPD occurrence and worsening according to a screening of the traditional Chinese medicine (TCM) database. The protein-ligand interaction of these three compounds with regard to IKK2 was also done by molecular dynamics. The docking poses, hydrogen bond variation, and hydrophobic interactions found Asp103 and Lys106 are crucial to IKK2 binding areas for IKK2 inhibition. Finally, we found the three compounds that have an equally strong effect in terms of IKK2 binding proven by the TCM database and perhaps these may be an alternative treatment for COPD in the future. Hindawi Publishing Corporation 2014 2014-06-02 /pmc/articles/PMC4060305/ /pubmed/24987428 http://dx.doi.org/10.1155/2014/465025 Text en Copyright © 2014 Yung-An Tsou et al. https://creativecommons.org/licenses/by/3.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Tsou, Yung-An
Huang, Hung-Jin
Lin, Wesley Wen-Yang
Chen, Calvin Yu-Chian
Lead Screening for Chronic Obstructive Pulmonary Disease of IKK2 Inhibited by Traditional Chinese Medicine
title Lead Screening for Chronic Obstructive Pulmonary Disease of IKK2 Inhibited by Traditional Chinese Medicine
title_full Lead Screening for Chronic Obstructive Pulmonary Disease of IKK2 Inhibited by Traditional Chinese Medicine
title_fullStr Lead Screening for Chronic Obstructive Pulmonary Disease of IKK2 Inhibited by Traditional Chinese Medicine
title_full_unstemmed Lead Screening for Chronic Obstructive Pulmonary Disease of IKK2 Inhibited by Traditional Chinese Medicine
title_short Lead Screening for Chronic Obstructive Pulmonary Disease of IKK2 Inhibited by Traditional Chinese Medicine
title_sort lead screening for chronic obstructive pulmonary disease of ikk2 inhibited by traditional chinese medicine
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4060305/
https://www.ncbi.nlm.nih.gov/pubmed/24987428
http://dx.doi.org/10.1155/2014/465025
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