Focused On-demand Library for Dual specificity protein phosphatase 15

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9H1R2

UPID:

DUS15_HUMAN

Alternative names:

VH1-related member Y; Vaccinia virus VH1-related dual-specific protein phosphatase Y

Alternative UPACC:

Q9H1R2; A6NH79; A8MVC8; Q5QP62; Q5QP63; Q5QP65; Q6PGN7; Q8N826; Q9BX24

Background:

Dual specificity protein phosphatase 15 (DUSP15), also known as VH1-related member Y, plays a crucial role in cellular processes by dephosphorylating key signaling molecules such as MAPK13, ATF2, ERBB3, PDGFRB, and SNX6. Its involvement in the regulation of oligodendrocyte differentiation and myelin formation, as well as Erk1/2 phosphorylation in Schwann cells, underscores its significance in neural development and function.

Therapeutic significance:

Understanding the role of Dual specificity protein phosphatase 15 could open doors to potential therapeutic strategies, particularly in the context of neural development and disorders. Its pivotal role in myelination and cell signaling pathways presents a promising avenue for targeted interventions in neurodegenerative diseases.