AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Girdin

Available from Reaxense
Predicted by Alphafold

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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

Reaxense

upacc

Q3V6T2

UPID:

GRDN_HUMAN

Alternative names:

Akt phosphorylation enhancer; Coiled-coil domain-containing protein 88A; G alpha-interacting vesicle-associated protein; Girders of actin filament; Hook-related protein 1

Alternative UPACC:

Q3V6T2; A1IGE7; B7ZM78; C9JG83; Q53SF1; Q581G3; Q5HYD0; Q7Z339; Q7Z3C5

Background:

Girdin, also known as Akt phosphorylation enhancer, plays a pivotal role in cell migration by modulating G proteins and enhancing EGFR signaling. It is crucial for neuron integration during adult neurogenesis, influencing dendritic development and synapse formation. Girdin's interaction with G(i) alpha subunits and inhibition of G(s) subunit alpha GNAS underscores its importance in cellular processes, including actin cytoskeleton integrity and cell proliferation.

Therapeutic significance:

Linked to PEHO-like syndrome, Girdin's involvement in severe neurological disorders highlights its potential as a therapeutic target. Understanding Girdin's role could open doors to novel strategies for treating conditions characterized by brain atrophy, seizures, and cognitive delay.

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