Molecular docking analysis of the oral tumor target JAK STAT 3 with oxo-azo compounds

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 (PDB ID: 3EYG). The results show that the oxo-azo derivatives showe...

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Bibliographic Details
Published in:Bioinformation 2023-01, Vol.19 (1), p.63-68
Main Authors: Karikalan, Kaviya, Veeraraghavan, Vishnu Priya, Sekaran, Surya, Rengasamy, Gayathri, Sankaran, Kavitha, Eswaramoorthy, Rajalakshmanan
Format: Article
Language:English
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Summary: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 (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.
ISSN:0973-2063
0973-8894
0973-2063
DOI:10.6026/97320630019063