Focused On-demand Library for 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase eta-2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 high-tech, dedicated method is applied to construct targeted 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 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

O75038

UPID:

PLCH2_HUMAN

Alternative names:

Phosphoinositide phospholipase C-eta-2; Phosphoinositide phospholipase C-like 4; Phospholipase C-eta-2

Alternative UPACC:

O75038; A2VCM3; B9DI80; Q3LUA8; Q86XJ2; Q86XU1; Q86YU7; Q8TEH5; Q8WUS6

Background:

1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase eta-2, also known as Phosphoinositide phospholipase C-eta-2, plays a pivotal role in the production of second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3). These molecules are crucial for various cellular processes, including calcium signaling. The enzyme's activity is highly sensitive to calcium levels, indicating its importance in calcium-mediated cellular functions.

Therapeutic significance:

Understanding the role of 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase eta-2 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways suggests that modulating its activity could offer new avenues for treating neurological disorders and diseases where calcium signaling is disrupted.