Focused On-demand Library for Phospholipase A and acyltransferase 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

We employ our advanced, specialised process to create targeted 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P53816

UPID:

PLAT3_HUMAN

Alternative names:

Adipose-specific phospholipase A2; Group XVI phospholipase A1/A2; H-rev 107 protein homolog; HRAS-like suppressor 1; HRAS-like suppressor 3; HREV107-3; Renal carcinoma antigen NY-REN-65

Alternative UPACC:

P53816; B2R7Q4; B7XAK5; Q3SYI3; Q9HDD1

Background:

Phospholipase A and acyltransferase 3, known by alternative names such as Adipose-specific phospholipase A2 and Group XVI phospholipase A1/A2, exhibits a broad spectrum of enzymatic activities. It functions in catalyzing the calcium-independent release of fatty acids and transferring fatty acyl groups, playing a crucial role in cellular lipid metabolism. This protein is also pivotal in eye lens terminal differentiation, ensuring lens transparency for light passage.

Therapeutic significance:

Understanding the role of Phospholipase A and acyltransferase 3 could open doors to potential therapeutic strategies.