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

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q4KWH8

UPID:

PLCH1_HUMAN

Alternative names:

Phosphoinositide phospholipase C-eta-1; Phospholipase C-eta-1; Phospholipase C-like protein 3

Alternative UPACC:

Q4KWH8; Q29RV9; Q4KWH9; Q68CN0; Q86XK4; Q9H9U2; Q9UPT3

Background:

1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase eta-1, also known as Phosphoinositide phospholipase C-eta-1, plays a crucial role in cell signaling by generating diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3) through calcium-activated phosphatidylinositol-specific phospholipase C enzymes. These molecules are pivotal for various cellular processes, including cell growth and differentiation.

Therapeutic significance:

The protein's involvement in Holoprosencephaly 14, a severe brain development disorder, underscores its potential as a therapeutic target. Understanding the role of 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase eta-1 could open doors to potential therapeutic strategies for managing and treating this complex condition.