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Molecular docking analysis of protein filamin-A with thioazo compounds.

ABSTRACT: 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.

SUBMITTER: Satish S

PROVIDER: S-EPMC10504497 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature

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Molecular docking analysis of protein filamin-A with thioazo compounds.

Satish Sudarshan S Rengasamy Gayathri G Sekaran Surya S Sankaran Kavitha K Veeraraghavan Vishnu Priya VP Eswaramoorthy Rajalakshmanan R

Bioinformation 20230101 1

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. ...[more]

PMID: 37720273

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