Title
Molecular docking analysis of the oral tumor target JAK STAT 3 with oxo-azo compounds
Authors
Kaviya Karikalan1, Vishnu Priya Veeraraghavan*, 1 Surya Sekaran2, Gayathri Rengasamy1, Kavitha Sankaran1 & Rajalakshmanan Eswaramoorthy*, 2
Affiliation
1Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai - 600077, India; 2Department of Biomaterials (Green lab), Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Science (SIMATS), Saveetha University, Chennai - 600077, India; *Corresponding authors
Kaviya karikalan -E-mail: kavyakavya2412@gmail.com
Vishnu Priya Veeraraghavan -E-mail: vishnupriya@saveetha.com
Surya Sekaran - E-mail: suryas.sdc@saveetha.com
Gayathri Rengasamy - E-mail: gayathri.sdc@saveetha.com
Kavitha Sankaran - E-mail: kavithas.sdc@saveetha.com
Rajalakshmanan Eswaramoorthy - E-mail: rajalakshmanane.sdc@saveetha.com
Article Type
Research Article
Date
Received January 1, 2023; Revised January 30, 2023; Accepted January 31, 2023, Published January 31, 2023
Abstract
It is of interest to identify the JAK STAT 3 signaling inhibitors to abrogate tumorigenesis in oral cancer. Hence, molecular docking was performed with known oxazole compounds (1-5) and the 3D crystal structure of JAK-1 protein from Homo sapiens (PDB ID: 3EYG). The results show that the oxo-azo derivatives showed better interactions within the binding site of proteins. We report that compounds 1, 4 and 5 optimal binding features with JAK STAT 3.
Keywords
JAK STAT 3, oxazole, oxo-azo derivatives, oral cancer, anticancer agents, in-silico
Citation
Karikalan et al. Bioinformation 19(1): 63-68 (2023)
Edited by
P Kangueane
ISSN
0973-2063
Publisher
License
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.
