Focused On-demand Library for Type II inositol 1,4,5-trisphosphate 5-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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

P32019

UPID:

I5P2_HUMAN

Alternative names:

75 kDa inositol polyphosphate-5-phosphatase; Phosphoinositide 5-phosphatase

Alternative UPACC:

P32019; C9J6U5; Q5VSG9; Q5VSH0; Q5VSH1; Q658Q5; Q6P6D4; Q6PD53; Q86YE1

Background:

The Type II inositol 1,4,5-trisphosphate 5-phosphatase, also known as a 75 kDa inositol polyphosphate-5-phosphatase or Phosphoinositide 5-phosphatase, plays a crucial role in cellular signaling. It hydrolyzes phosphatidylinositol 4,5-bisphosphate (PtIns(4,5)P2) and phosphatidylinositol 1,4,5-trisphosphate (PtIns(1,4,5)P3), key molecules in intracellular signal transduction pathways.

Therapeutic significance:

Understanding the role of Type II inositol 1,4,5-trisphosphate 5-phosphatase could open doors to potential therapeutic strategies. Its pivotal function in modulating cellular signaling events positions it as a significant target for drug discovery efforts aimed at regulating cellular processes.