Molecular docking analysis of protein filamin-A with thioazo compounds

It is of interest to document the molecular docking analysis of protein Filamin-A with thioazo compounds. The compounds 1, 3, 5, and 6 showed best molecular docking interaction as compared to the drug doxorubicin. Among the selected ligands (1-6), compound 3 shows better interaction score than doxor...

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Autores principales: Satish, Sudarshan, Rengasamy, Gayathri, Sekaran, Surya, Sankaran, Kavitha, Veeraraghavan, Vishnu Priya, Eswaramoorthy, Rajalakshmanan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10504497/
https://www.ncbi.nlm.nih.gov/pubmed/37720273
http://dx.doi.org/10.6026/97320630019099
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author Satish, Sudarshan
Rengasamy, Gayathri
Sekaran, Surya
Sankaran, Kavitha
Veeraraghavan, Vishnu Priya
Eswaramoorthy, Rajalakshmanan
author_facet Satish, Sudarshan
Rengasamy, Gayathri
Sekaran, Surya
Sankaran, Kavitha
Veeraraghavan, Vishnu Priya
Eswaramoorthy, Rajalakshmanan
author_sort Satish, Sudarshan
collection PubMed
description It is of interest to document the molecular docking analysis of protein Filamin-A with thioazo compounds. The compounds 1, 3, 5, and 6 showed best molecular docking interaction as compared to the drug doxorubicin. Among the selected ligands (1-6), compound 3 shows better interaction score than doxorubicin and follows Lipinski's rule of five. Hence, it could be considered as a potential lead molecule for inhibiting protein filamin A in the treatment of oral cancer.
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spelling pubmed-105044972023-09-17 Molecular docking analysis of protein filamin-A with thioazo compounds Satish, Sudarshan Rengasamy, Gayathri Sekaran, Surya Sankaran, Kavitha Veeraraghavan, Vishnu Priya Eswaramoorthy, Rajalakshmanan Bioinformation Research Article It is of interest to document the molecular docking analysis of protein Filamin-A with thioazo compounds. The compounds 1, 3, 5, and 6 showed best molecular docking interaction as compared to the drug doxorubicin. Among the selected ligands (1-6), compound 3 shows better interaction score than doxorubicin and follows Lipinski's rule of five. Hence, it could be considered as a potential lead molecule for inhibiting protein filamin A in the treatment of oral cancer. Biomedical Informatics 2023-01-01 /pmc/articles/PMC10504497/ /pubmed/37720273 http://dx.doi.org/10.6026/97320630019099 Text en © 2023 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
Satish, Sudarshan
Rengasamy, Gayathri
Sekaran, Surya
Sankaran, Kavitha
Veeraraghavan, Vishnu Priya
Eswaramoorthy, Rajalakshmanan
Molecular docking analysis of protein filamin-A with thioazo compounds
title Molecular docking analysis of protein filamin-A with thioazo compounds
title_full Molecular docking analysis of protein filamin-A with thioazo compounds
title_fullStr Molecular docking analysis of protein filamin-A with thioazo compounds
title_full_unstemmed Molecular docking analysis of protein filamin-A with thioazo compounds
title_short Molecular docking analysis of protein filamin-A with thioazo compounds
title_sort molecular docking analysis of protein filamin-a with thioazo compounds
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10504497/
https://www.ncbi.nlm.nih.gov/pubmed/37720273
http://dx.doi.org/10.6026/97320630019099
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