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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9Y263
UPID:
PLAP_HUMAN
Alternative names:
-
Alternative UPACC:
Q9Y263; Q53EU5; Q5VY33; Q9NUL8; Q9NVE9; Q9UF53; Q9Y5L1
Background:
Phospholipase A-2-activating protein plays a crucial role in protein ubiquitination, sorting, and degradation, associating with VCP to facilitate synaptic vesicle recycling and macroautophagy. It is pivotal in cerebellar Purkinje cell development and enhances prostaglandin E2 biosynthesis through regulation of phospholipase A2 activities.
Therapeutic significance:
Linked to a neurodevelopmental disorder characterized by progressive microcephaly, spasticity, and brain anomalies, understanding the role of Phospholipase A-2-activating protein could open doors to potential therapeutic strategies.