Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q13202
UPID:
DUS8_HUMAN
Alternative names:
Dual specificity protein phosphatase hVH-5
Alternative UPACC:
Q13202; Q86SS8
Background:
Dual specificity protein phosphatase 8 (DSP8), also known as hVH-5, exhibits phosphatase activity with synthetic substrates, playing a pivotal role in the negative regulation of mitogen-activated protein kinase (MAPK) activity. This regulation is achieved presumably through the dephosphorylation of MAPKs, impacting phosphotyrosine, phosphoserine, and phosphothreonine residues.
Therapeutic significance:
Understanding the role of Dual specificity protein phosphatase 8 could open doors to potential therapeutic strategies. Its ability to modulate MAPK activity suggests a significant potential in the development of treatments for diseases where MAPK signaling is dysregulated.