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

Vipra Sharma; Gayathri Rengasamy; Surya Sekaran; Kavitha Sankaran; Vishnu Priya Veeraraghavan; Rajalakshmanan Eswaramoorthy

doi:10.6026/97320630019111

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

Bioinformation. 2023 Jan 31;19(1):111-116. doi: 10.6026/97320630019111. eCollection 2023.

Authors

Vipra Sharma¹, Gayathri Rengasamy¹, Surya Sekaran², Kavitha Sankaran¹, Vishnu Priya Veeraraghavan¹, Rajalakshmanan Eswaramoorthy²

Affiliations

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

Abstract

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.

Keywords: ADMET; Oral cancer; beta arrestin-1 protein; molecular docking; oxadiazole derivatives.