Title
Molecular docking analysis of sphingosine kinase 1 inhibitors for cancer management
Authors
Jameel Barnawi*
Affiliation
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
Date
Received May 1, 2023; Revised May 31, 2023; Accepted May 31, 2023, Published May 31, 2023
Abstract
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.
Keywords
Cancer, sphingosine kinase 1, natural compounds, virtual screening.
Citation
Barnawi, Bioinformation 19(5): 571-576 (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.
