Focused On-demand Library for FYVE, RhoGEF and PH domain-containing protein 4

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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

Q96M96

UPID:

FGD4_HUMAN

Alternative names:

Actin filament-binding protein frabin; FGD1-related F-actin-binding protein; Zinc finger FYVE domain-containing protein 6

Alternative UPACC:

Q96M96; Q6ULS2; Q8TCP6

Background:

FYVE, RhoGEF, and PH domain-containing protein 4, also known as Actin filament-binding protein frabin, plays a pivotal role in cellular processes by activating CDC42, a key member of the Ras-like family of Rho- and Rac proteins. This activation facilitates the exchange of bound GDP for free GTP, crucial for regulating the actin cytoskeleton and cell shape. Additionally, it activates MAPK8, underscoring its significance in cellular signaling pathways.

Therapeutic significance:

Given its involvement in Charcot-Marie-Tooth disease 4H, a recessive demyelinating form of peripheral neuropathy characterized by progressive weakness and muscle atrophy, understanding the role of FYVE, RhoGEF, and PH domain-containing protein 4 could open doors to potential therapeutic strategies. This protein's function in actin cytoskeleton regulation and cell shape presents a promising target for therapeutic intervention.