Focused On-demand Library for Cytosolic phospholipase A2

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.

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

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

P47712

UPID:

PA24A_HUMAN

Alternative names:

Phospholipase A2 group IVA

Alternative UPACC:

P47712; B1AKG4; Q29R80

Background:

Cytosolic phospholipase A2 (cPLA2), also known as Phospholipase A2 group IVA, plays a pivotal role in membrane lipid remodeling and the biosynthesis of lipid mediators crucial for the inflammatory response. It exhibits calcium-dependent phospholipase and lysophospholipase activities, primarily hydrolyzing the sn-2 position of phospholipids to release arachidonic acid, a precursor for eicosanoid biosynthesis. This enzyme's action is essential for various physiological processes, including embryo implantation and parturition.

Therapeutic significance:

The enzyme's involvement in gastrointestinal ulceration, recurrent, with dysfunctional platelets, underscores its therapeutic significance. Targeting cPLA2 could offer novel treatment avenues for managing this autosomal recessive disorder, characterized by gastrointestinal bleeding, chronic anemia, and platelet dysfunction, by modulating eicosanoid synthesis and inflammatory responses.