AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for FYVE, RhoGEF and PH domain-containing protein 1

Available from Reaxense
Predicted by Alphafold

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.

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

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

P98174

UPID:

FGD1_HUMAN

Alternative names:

Faciogenital dysplasia 1 protein; Rho/Rac guanine nucleotide exchange factor FGD1; Zinc finger FYVE domain-containing protein 3

Alternative UPACC:

P98174; Q5H999; Q8N4D9

Background:

FYVE, RhoGEF, and PH domain-containing protein 1, also known as Faciogenital dysplasia 1 protein, plays a pivotal role in activating CDC42. This activation is crucial for regulating the actin cytoskeleton and cell shape, highlighting its significance in cellular morphology and movement.

Therapeutic significance:

Linked to Aarskog-Scott syndrome, a rare multisystemic disorder, understanding the role of FYVE, RhoGEF, and PH domain-containing protein 1 could open doors to potential therapeutic strategies. Its involvement in skeletal, facial, and urogenital anomalies, alongside possible intellectual disabilities, underscores its therapeutic potential.

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