Focused On-demand Library for Prickle-like protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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 use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

Reaxense

upacc

Q96MT3

UPID:

PRIC1_HUMAN

Alternative names:

REST/NRSF-interacting LIM domain protein 1

Alternative UPACC:

Q96MT3; Q14C83; Q71QF8; Q96N00

Background:

Prickle-like protein 1, alternatively known as REST/NRSF-interacting LIM domain protein 1, plays a pivotal role in the planar cell polarity pathway, crucial for processes such as convergent extension during gastrulation and neural tube closure. This protein's involvement is essential for the nuclear localization of REST, indicating its significant role in cellular functions and developmental processes.

Therapeutic significance:

Prickle-like protein 1 is linked to diseases such as Epilepsy, progressive myoclonic 1B, and Neural tube defects, highlighting its potential as a target for therapeutic intervention. Understanding the role of Prickle-like protein 1 could open doors to potential therapeutic strategies for these conditions.