Findings from Mahidol University Provides New Data on Blood Research [Computer-guided Design of Novel Nitrogen-based Heterocyclic Sphingosine-1-phosphate (S1p) Activators As Osteoanabolic Agents].

Researchers from Mahidol University in Bangkok, Thailand have developed a computational-driven rational design approach to discover new drugs that promote bone formation, known as osteoanabolic agents. They focused on activating the Sphingosine-1-phosphate receptor 2 (S1PR2), which has been found to promote osteogenesis. Using quantitative structure-activity relationship (QSAR) modeling, the researchers identified key properties that play essential roles in S1PR2 activation. They then used these models to guide the design of 752 structurally modified compounds, many of which were predicted to have higher potency than their parent compounds. The researchers also performed drug-likeness prediction, indicating that most of the newly designed compounds are suitable for further development. [Extracted from the article]