Focused On-demand Library for Actin nucleation-promoting factor WAS

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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 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

P42768

UPID:

WASP_HUMAN

Alternative names:

Wiskott-Aldrich syndrome protein

Alternative UPACC:

P42768; Q9BU11; Q9UNJ9

Background:

The Actin nucleation-promoting factor WAS, also known as Wiskott-Aldrich syndrome protein, plays a pivotal role in actin filament reorganization and actin polymerization in both cytoplasm and nucleus. This protein is crucial for lymphocyte and platelet function, and aids in the formation of actin pedestals following bacterial infection.

Therapeutic significance:

Wiskott-Aldrich syndrome protein's involvement in diseases like Wiskott-Aldrich syndrome, Thrombocytopenia 1, and X-linked severe congenital Neutropenia underscores its therapeutic potential. Targeting this protein could lead to innovative treatments for these hematologic and immunodeficiency disorders.