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

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

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

Q86YW0

UPID:

PLCZ1_HUMAN

Alternative names:

Phosphoinositide phospholipase C-zeta-1; Phospholipase C-zeta-1; Testis-development protein NYD-SP27

Alternative UPACC:

Q86YW0; Q08AQ7; Q96J70

Background:

1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, also known as Phospholipase C-zeta-1, plays a pivotal role in the production of second messenger molecules diacylglycerol (DAG) and inositol 1,4,5-trisphosphate (IP3). This enzyme is crucial for triggering intracellular Ca(2+) oscillations in oocytes during M phase, essential for oocyte activation and the initiation of embryonic development.

Therapeutic significance:

Given its critical function in inducing oocyte activation and its association with Spermatogenic failure 17, a deeper understanding of 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 could pave the way for innovative treatments for certain infertility disorders.