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Molecular docking analysis of protein filamin-A with thioazo compounds



Sudarshan Satish1, Gayathri Rengasamy*1, Surya Sekaran2, Kavitha Sankaran, Vishnu Priya Veeraraghavan1 & Rajalakshmanan Eswaramoorthy*2



1Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai-600077; 2Department of Biomaterials (Green lab), Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Science (SIMATS), Saveetha University, Chennai-600077; *Corresponding author



Sudarshan Satish E-mail: 152101010.sdc@saveetha.com

Gayathri Rengasamy - E-mail: gayathri.sdc@saveetha.com

Surya Sekaran - E-mail: suryas.sdc@saveetha.com

Kavitha Sankaran - E-mail: kavithas.sdc@saveetha.com

Vishnu Priya Veeraraghavan - E-mail: vishnupriya@saveetha.com

Rajalakshmanan Eswaramoorthy - E-mail: rajalakshmanane.sdc@saveetha.com


Article Type

Research Article



Received January 1, 2023; Revised January 30, 2023; Accepted January 31, 2023, Published January 31, 2023



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.



Oral cancer, thio azo derivatives, protein filamin-a, drug discovery



Satish et al. Bioinformation 19(1): 99-104 (2023)


Edited by

P Kangueane






Biomedical Informatics



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.