Focused On-demand Library for Sprouty-related, EVH1 domain-containing protein 2

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised 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:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q7Z698

UPID:

SPRE2_HUMAN

Alternative names:

Alternative UPACC:

Q7Z698; A1L3V4; B7Z5K7; D6W5F7; E9PEP0; Q2NKX6

Background:

Sprouty-related, EVH1 domain-containing protein 2 plays a pivotal role in regulating Ras signaling pathways and MAP kinase activation. It modulates cellular processes by recruiting NF1 to the cell membrane, facilitating the conversion of active GTP-bound Ras to its inactive GDP-bound form. Additionally, it impacts fibroblast growth factor-induced differentiation and inhibits epithelial-to-mesenchymal transition in lens epithelial cells.

Therapeutic significance:

Linked to Noonan syndrome 14, characterized by congenital heart defects, facial dysmorphia, and developmental delays, this protein's understanding could pave the way for novel therapeutic approaches targeting these manifestations.