Molecular docking analysis of DNA ligase from Staphylococcus aureus with identical polysaccharides

Staphylococcus aureus has been recognized as an important human pathogen for more than 100 years. DNA ligase is the main protein responsible for the replication of S. aureus. DNA ligase was selected as successive target to control the replication mechanism. The antibacterial activity of polysacchari...

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Autores principales: Roy, Anitha, Sleeba, Aneymol Varikalam, Joy, Rini, Rajagopal, Ponnulakshmi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8457022/
https://www.ncbi.nlm.nih.gov/pubmed/34621118
http://dx.doi.org/10.6026/97320630016719
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author Roy, Anitha
Sleeba, Aneymol Varikalam
Joy, Rini
Rajagopal, Ponnulakshmi
author_facet Roy, Anitha
Sleeba, Aneymol Varikalam
Joy, Rini
Rajagopal, Ponnulakshmi
author_sort Roy, Anitha
collection PubMed
description Staphylococcus aureus has been recognized as an important human pathogen for more than 100 years. DNA ligase is the main protein responsible for the replication of S. aureus. DNA ligase was selected as successive target to control the replication mechanism. The antibacterial activity of polysaccharide is known. Therefore, it is of interest to study the activity of Polysaccharide analogues against DNA ligase in S. aureus using molecular docking analysis. We report ten analogues using scoring parameters with best two analogues as potential drug candidate for the combat of S. aureus infection.
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spelling pubmed-84570222021-10-06 Molecular docking analysis of DNA ligase from Staphylococcus aureus with identical polysaccharides Roy, Anitha Sleeba, Aneymol Varikalam Joy, Rini Rajagopal, Ponnulakshmi Bioinformation Research Article Staphylococcus aureus has been recognized as an important human pathogen for more than 100 years. DNA ligase is the main protein responsible for the replication of S. aureus. DNA ligase was selected as successive target to control the replication mechanism. The antibacterial activity of polysaccharide is known. Therefore, it is of interest to study the activity of Polysaccharide analogues against DNA ligase in S. aureus using molecular docking analysis. We report ten analogues using scoring parameters with best two analogues as potential drug candidate for the combat of S. aureus infection. Biomedical Informatics 2020-09-30 /pmc/articles/PMC8457022/ /pubmed/34621118 http://dx.doi.org/10.6026/97320630016719 Text en © 2020 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
Roy, Anitha
Sleeba, Aneymol Varikalam
Joy, Rini
Rajagopal, Ponnulakshmi
Molecular docking analysis of DNA ligase from Staphylococcus aureus with identical polysaccharides
title Molecular docking analysis of DNA ligase from Staphylococcus aureus with identical polysaccharides
title_full Molecular docking analysis of DNA ligase from Staphylococcus aureus with identical polysaccharides
title_fullStr Molecular docking analysis of DNA ligase from Staphylococcus aureus with identical polysaccharides
title_full_unstemmed Molecular docking analysis of DNA ligase from Staphylococcus aureus with identical polysaccharides
title_short Molecular docking analysis of DNA ligase from Staphylococcus aureus with identical polysaccharides
title_sort molecular docking analysis of dna ligase from staphylococcus aureus with identical polysaccharides
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8457022/
https://www.ncbi.nlm.nih.gov/pubmed/34621118
http://dx.doi.org/10.6026/97320630016719
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AT sleebaaneymolvarikalam moleculardockinganalysisofdnaligasefromstaphylococcusaureuswithidenticalpolysaccharides
AT joyrini moleculardockinganalysisofdnaligasefromstaphylococcusaureuswithidenticalpolysaccharides
AT rajagopalponnulakshmi moleculardockinganalysisofdnaligasefromstaphylococcusaureuswithidenticalpolysaccharides

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