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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Detalles Bibliográficos
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
Descripción
Sumario: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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