Focused On-demand Libraries - Receptor.AI 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.


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


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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
Receptor.AI
 
UPACC
Q5JU85

UPID:
IQEC2_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q5JU85; A0A1W2PQN3; B3KT97; C7SDG1; O60275; Q5JUX1

BACKGROUND:
The protein known as IQ motif and SEC7 domain-containing protein 2, with the unique identifier Q5JU85, functions as a guanine nucleotide exchange factor. It is essential for the activation of ARF GTP-binding proteins, which are critical for various cellular functions.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of IQ motif and SEC7 domain-containing protein 2 could open doors to potential therapeutic strategies for Intellectual developmental disorder, X-linked 1. This disorder is characterized by impaired intellectual and adaptive functioning, underscoring the importance of targeted research in this area.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.