AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Rab3 GTPase-activating protein non-catalytic subunit

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.

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.

Our top-notch dedicated system is used to design specialised 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.

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

Q9H2M9

UPID:

RBGPR_HUMAN

Alternative names:

RGAP-iso; Rab3 GTPase-activating protein 150 kDa subunit; Rab3-GAP p150; Rab3-GAP regulatory subunit

Alternative UPACC:

Q9H2M9; A6H8V0; O75872; Q9HAB0; Q9UFJ7; Q9UQ15

Background:

The Rab3 GTPase-activating protein non-catalytic subunit, known by alternative names such as RGAP-iso, Rab3-GAP p150, and Rab3-GAP regulatory subunit, plays a pivotal role in neurotransmitter and hormone exocytosis regulation. It functions as part of the Rab3GAP complex, influencing various Rab3 subfamily members and RAB18, crucial for maintaining proper endoplasmic reticulum structure and normal eye and brain development.

Therapeutic significance:

Linked to Martsolf syndrome 1 and Warburg micro syndrome 2, the protein's involvement in these genetic disorders underscores its potential as a target for therapeutic intervention. Understanding the role of Rab3 GTPase-activating protein non-catalytic subunit could open doors to potential therapeutic strategies.

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