Focused On-demand Library for PDZ domain-containing protein GIPC1

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.

We employ our advanced, specialised process to create targeted 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

O14908

UPID:

GIPC1_HUMAN

Alternative names:

GAIP C-terminus-interacting protein; RGS-GAIP-interacting protein; RGS19-interacting protein 1; Synectin; Tax interaction protein 2

Alternative UPACC:

O14908; A8K4I3; A8MZG3; Q9BTC9

Background:

PDZ domain-containing protein GIPC1, also known as Synectin or GAIP C-terminus-interacting protein, plays a pivotal role in G protein-linked signaling pathways. With alternative names like RGS-GAIP-interacting protein and Tax interaction protein 2, GIPC1's involvement in cellular communication and signal transduction is critical. Its unique structure, characterized by the PDZ domain, facilitates interactions with various signaling molecules, underscoring its versatility and importance in cellular functions.

Therapeutic significance:

GIPC1's link to Oculopharyngodistal myopathy 2, a muscle disorder marked by progressive muscle weakness and myopathic changes, highlights its clinical relevance. The disease's association with GGC repeat expansions in GIPC1 suggests a genetic underpinning that could be targeted for therapeutic intervention. Understanding the role of GIPC1 could open doors to potential therapeutic strategies, offering hope for patients suffering from this debilitating condition.