Focused On-demand Library for FYVE, RhoGEF and PH domain-containing protein 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 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

Q7Z6J4

UPID:

FGD2_HUMAN

Alternative names:

Zinc finger FYVE domain-containing protein 4

Alternative UPACC:

Q7Z6J4; Q5T8I1; Q6P6A8; Q6ZNL5; Q8IZ32; Q8N868; Q9H7M2

Background:

FYVE, RhoGEF, and PH domain-containing protein 2, also known as Zinc finger FYVE domain-containing protein 4, plays a crucial role in cellular signaling. It activates CDC42, a key protein in the Ras-like family, facilitating the exchange of GDP for GTP. This activation process is pivotal for the activation of JNK1 via CDC42, impacting cellular functions such as cell growth and differentiation. The protein's ability to bind various phosphatidylinositols underscores its significance in cellular signaling pathways.

Therapeutic significance:

Understanding the role of FYVE, RhoGEF, and PH domain-containing protein 2 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways offers a promising avenue for the development of targeted therapies in diseases where these pathways are dysregulated.