Focused On-demand Library for FYVE, RhoGEF and PH domain-containing protein 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q5JSP0

UPID:

FGD3_HUMAN

Alternative names:

Zinc finger FYVE domain-containing protein 5

Alternative UPACC:

Q5JSP0; F8W7P2; Q4VX84; Q7Z7D9; Q8N5G1

Background:

FYVE, RhoGEF, and PH domain-containing protein 3, also known as Zinc finger FYVE domain-containing protein 5, plays a crucial role in cell morphology and motility. It promotes filopodia formation and may activate CDC42, a key regulator in the Ras-like family of Rho- and Rac proteins. This activation facilitates the exchange of GDP for GTP, influencing the actin cytoskeleton and cell shape.

Therapeutic significance:

Understanding the role of FYVE, RhoGEF, and PH domain-containing protein 3 could open doors to potential therapeutic strategies. Its involvement in actin cytoskeleton regulation and cell shape alteration highlights its importance in cellular functions and disease mechanisms.