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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.