Focused On-demand Library for FYVE, RhoGEF and PH domain-containing protein 5

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop 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.

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

Q6ZNL6

UPID:

FGD5_HUMAN

Alternative names:

Zinc finger FYVE domain-containing protein 23

Alternative UPACC:

Q6ZNL6; B3KVQ3; Q6MZY1; Q7Z303; Q8IYP3; Q8N861; Q8N8G4

Background:

FYVE, RhoGEF and PH domain-containing protein 5, also known as Zinc finger FYVE domain-containing protein 23, plays a pivotal role in cellular processes. It activates CDC42, a crucial protein in the Ras-like family, by facilitating the exchange of GDP for GTP. This activation is instrumental in the proangiogenic actions of VEGF in vascular endothelial cells, influencing network formation, directional movement, and proliferation. Additionally, it may have a significant role in modulating the actin cytoskeleton and cell shape.

Therapeutic significance:

Understanding the role of FYVE, RhoGEF and PH domain-containing protein 5 could open doors to potential therapeutic strategies.