Sphingosine Kinase 1 (SK1) Inhibitors Library

Generally, sphingosine kinase 1 is a cytoplasmic protein but is recruited to membranes rich in phosphatidylate (PA), a product of Phospholipase D (PLD). Its substrate, Sphingosine-1-phosphate (S1P), is a novel lipid messenger with both intracellular and extracellular functions. Intracellularly, it regulates cell proliferation and survival, and extracellularly, it is a ligand for Sphingosine-1-phosphate receptor 1, which provides an inflammatory signaling. A large number of research results have shown that SK1 is over-expressed in several types of human cancers. SK1 has a growth-promoting effect, and has been proposed as a potential therapeutic target. SKs and their lipid products S1Ps play a crucial role in inflammatory signaling process as well as disease development and progression, and therefore SK1 inhibitors may be used as therapeutic agents for proliferative diseases, including hypertension.

Figure 1. Role of sphingosine kinase 1 and sphingosine 1-phosphate in regulating STAT signalling in cancer. (Nigel, P.; Pyne, S. 2020)

Library Design

At BOC Sciences, our teams have employed an in silico screening method based on molecular docking approach to generate this library which contains novel chemical structures with well-predicted affinity to the active site

1. A receptor-based virtual screening process is created based on X-ray data for the complexes
2. The compounds in the HTS compound collection have been pre-filtered using BOC Sciences' internal filters and then docked at the active site
3. Similar location and orientation of a reference compound and one of the hits from our HTS compound collection in the binding site of Sphingosine Kinase 1 protein (PDBID: 4l02)
4. Finally, potential COX-2 inhibitors selected with computational chemistry, and virtual screening techniques are generated successfully

SK1 Inhibitors Library Characteristics

• Favorable physicochemical parameters and solubility requirements
• No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
• Bioactivity and safety confirmed by preclinical studies and clinical trials
• Structural diversity, medicinal activity, and cellular penetration
• Structural document, IC₅₀, and other chemical and biological data are provided
• All compounds are continually updated
• Compound cherry-picking service is provided

Figure 2. Regulation of sphingosine kinase 1 in cancer. (Nigel, P.; Pyne, S. 2020)

What We Deliver

• Delivered within 2 weeks in any customer-preferred format
• Powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates
• All compounds have a minimum purity of 90% assessed by ¹H NMR and HPLC
• Analytical data is provided

BOC Sciences provides professional, rapid and high-quality services of Sphingosine Kinase 1 (SK1) Inhibitors Library design at competitive prices for global customers. Personalized and customized services of Sphingosine Kinase 1 (SK1) Inhibitors Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!