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Molecular docking analysis of the tumor protein beta arrestin-1 with oxadiazole compounds



Vipra Sharma1, Gayathri Rengasamy*, 1Surya Sekaran2, Kavitha Sankaran1, Vishnu Priya Veeraraghavan1 & Rajalakshmanan Eswaramoorthy*, 2



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



Vipra Sharma - E-mail: sharmavipra6@gmail.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



Beta arrestins are a family of adaptor proteins that help in the regulation of signaling and trafficking of various G protein coupled receptors (GPCRs). Six oxadiazole derivatives taken from literature are analyzed for anti-cancer properties. The toxicity profiles of all the drugs were similar to Tamoxifen used as control. Data shows that compounds 2, 4, and 6 exhibited comparably significant molecular interactions with the cancerous protein for further consideration.



Oral cancer, beta arrestin-1 protein, oxadiazole derivatives, molecular docking, ADMET



Sharma et al. Bioinformation 19(1): 111-116 (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.