ArticleBioinformation2023
Molecular docking analysis of sphingosine kinase 1 inhibitors for cancer management.
Article in Bioinformation, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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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.
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