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Molecular docking analysis of sphingosine kinase 1 inhibitors for cancer management



Jameel Barnawi*



Department of Medical Lab Technology, Prince Fahd Bin Sultan Research chair, Faculty of Applied Medical Sciences, University of Tabuk, Tabuk 71491, Saudi Arabia; *Corresponding author



Jameel Barnawi - Email: jmlbarnawi@gmail.com; jbarnawi@ut.edu.sa


Article Type

Research Article


Received May 1, 2023; Revised May 31, 2023; Accepted May 31, 2023, Published May 31, 2023



Sphingosine kinase 1 (SK1) catalyses the conversion of sphingosine to the signalling mediator sphingosine 1-phosphate. This is essential for cell survival and proliferation. SK1 is frequently overexpressed in various cancer types, promoting tumor progression. SK1 has been well documented as a promising target for anticancer therapy. In this study, a virtual screening approach was used to screen a total of 1068 natural compounds, with the aim of identifying potential inhibitors of SK1. The top hit compounds, namely CNP0296172, CNP0368143, CNP0380570, and CNP0290815, were selected based on their strong binding affinity and specificity towards the SK1 binding pocket. Notably, these selected hit compounds exhibited a higher affinity towards the SK1 binding pocket when compared to the positive control compound (PF-543). Furthermore, these compounds were found to meet the necessary drug like criteria, thus rendering them suitable candidates for further experimental validation as potential anticancer agents.



Cancer, sphingosine kinase 1, natural compounds, virtual screening. 



Barnawi, Bioinformation 19(5): 571-576 (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.