Focused On-demand Library for Type 2 phosphatidylinositol 4,5-bisphosphate 4-phosphatase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 high-tech, dedicated method is applied to construct targeted 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q8N4L2

UPID:

PP4P2_HUMAN

Alternative names:

PtdIns-4,5-P2 4-Ptase II; Transmembrane protein 55A

Alternative UPACC:

Q8N4L2; B2R9H4; Q68CU2

Background:

The Type 2 phosphatidylinositol 4,5-bisphosphate 4-phosphatase, also known as Transmembrane protein 55A, plays a crucial role in cellular processes by catalyzing the hydrolysis of phosphatidylinositol-4,5-bisphosphate to phosphatidylinositol-4-phosphate. This enzymatic activity is pivotal in regulating phosphatidylinositol signaling pathways, which are essential for various cellular functions including membrane trafficking and signal transduction.

Therapeutic significance:

Understanding the role of Type 2 phosphatidylinositol 4,5-bisphosphate 4-phosphatase could open doors to potential therapeutic strategies. Its involvement in key signaling pathways suggests that modulating its activity could have implications in treating diseases where these pathways are dysregulated.