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Molecular docking analysis of phytocompounds from Acacia farnesiana with protein targets linked to bronchitis

Acute bronchitis is a lower respiratory tract lung infection that causes bronchial inflammation. The known protein drug targets are peptidoglycan D, D-transpeptidase, and DNA topoisomerase 4 subunit A for bronchitis linked infections. These are the membrane associated macromolecules which takes a ma...

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Autores principales: Beelagi, Mallikarjun S, Bongale, Manoj Manjunath, Jain, Anisha S, Shiva Prasad, Kollur, Patil, Sharanagouda S, Mellappa, Govindappa, Dharmashekar, Chandan, Ashwini, P, Triveni, R, Shivamallu, Chandan, Srinivasa, Chandrashekar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8770410/
https://www.ncbi.nlm.nih.gov/pubmed/35095230
http://dx.doi.org/10.6026/97320630017557
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author Beelagi, Mallikarjun S
Bongale, Manoj Manjunath
Jain, Anisha S
Shiva Prasad, Kollur
Patil, Sharanagouda S
Mellappa, Govindappa
Dharmashekar, Chandan
Ashwini, P
Triveni, R
Shivamallu, Chandan
Srinivasa, Chandrashekar
author_facet Beelagi, Mallikarjun S
Bongale, Manoj Manjunath
Jain, Anisha S
Shiva Prasad, Kollur
Patil, Sharanagouda S
Mellappa, Govindappa
Dharmashekar, Chandan
Ashwini, P
Triveni, R
Shivamallu, Chandan
Srinivasa, Chandrashekar
author_sort Beelagi, Mallikarjun S
collection PubMed
description Acute bronchitis is a lower respiratory tract lung infection that causes bronchial inflammation. The known protein drug targets are peptidoglycan D, D-transpeptidase, and DNA topoisomerase 4 subunit A for bronchitis linked infections. These are the membrane associated macromolecules which takes a major role in the formation of cell wall membrane by synthesising the cross-linked peptidoglycan. Therefore, it is of interest to design molecules with improved binding features with these protein targets. Hence, we document the molecular docking analysis data of four phytocompounds from Acacia farnesiana having optimal binding features with these targets linked to bronchitis for further consideration.
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spelling pubmed-87704102022-01-27 Molecular docking analysis of phytocompounds from Acacia farnesiana with protein targets linked to bronchitis Beelagi, Mallikarjun S Bongale, Manoj Manjunath Jain, Anisha S Shiva Prasad, Kollur Patil, Sharanagouda S Mellappa, Govindappa Dharmashekar, Chandan Ashwini, P Triveni, R Shivamallu, Chandan Srinivasa, Chandrashekar Bioinformation Research Article Acute bronchitis is a lower respiratory tract lung infection that causes bronchial inflammation. The known protein drug targets are peptidoglycan D, D-transpeptidase, and DNA topoisomerase 4 subunit A for bronchitis linked infections. These are the membrane associated macromolecules which takes a major role in the formation of cell wall membrane by synthesising the cross-linked peptidoglycan. Therefore, it is of interest to design molecules with improved binding features with these protein targets. Hence, we document the molecular docking analysis data of four phytocompounds from Acacia farnesiana having optimal binding features with these targets linked to bronchitis for further consideration. Biomedical Informatics 2021-05-31 /pmc/articles/PMC8770410/ /pubmed/35095230 http://dx.doi.org/10.6026/97320630017557 Text en © 2021 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Research Article
Beelagi, Mallikarjun S
Bongale, Manoj Manjunath
Jain, Anisha S
Shiva Prasad, Kollur
Patil, Sharanagouda S
Mellappa, Govindappa
Dharmashekar, Chandan
Ashwini, P
Triveni, R
Shivamallu, Chandan
Srinivasa, Chandrashekar
Molecular docking analysis of phytocompounds from Acacia farnesiana with protein targets linked to bronchitis
title Molecular docking analysis of phytocompounds from Acacia farnesiana with protein targets linked to bronchitis
title_full Molecular docking analysis of phytocompounds from Acacia farnesiana with protein targets linked to bronchitis
title_fullStr Molecular docking analysis of phytocompounds from Acacia farnesiana with protein targets linked to bronchitis
title_full_unstemmed Molecular docking analysis of phytocompounds from Acacia farnesiana with protein targets linked to bronchitis
title_short Molecular docking analysis of phytocompounds from Acacia farnesiana with protein targets linked to bronchitis
title_sort molecular docking analysis of phytocompounds from acacia farnesiana with protein targets linked to bronchitis
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8770410/
https://www.ncbi.nlm.nih.gov/pubmed/35095230
http://dx.doi.org/10.6026/97320630017557
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