An integrative study to identify novel scaffolds for sphingosine kinase 1 inhibitors.

ABSTRACT: Sphingosine kinase 1 (SphK1), the enzyme that produces the bioactive sphingolipid metabolite, sphingosine-1-phosphate, is a promising new molecular target for therapeutic intervention in cancer and inflammatory diseases. In view of its importance, the main objective of this work was to find new and more potent inhibitors for this enzyme possessing different structural scaffolds than those of the known inhibitors. Our theoretical and experimental study has allowed us to identify two new structural scaffolds (three new compounds), which could be used as starting structures for the design and then the development of new inhibitors of SphK1. Our study was carried out in different steps: virtual screening, synthesis, bioassays and molecular modelling. From our results, we propose a new dihydrob

SUBMITTER: Vettorazzi M 

PROVIDER: S-EPMC6284402 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature