Focused On-demand Library for Protein phosphatase 1 regulatory subunit 21

Focused On-demand Libraries - Reaxense 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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct 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

Q6ZMI0

UPID:

PPR21_HUMAN

Alternative names:

Coiled-coil domain-containing protein 128; KLRAQ motif-containing protein 1

Alternative UPACC:

Q6ZMI0; B7ZKY5; B7ZKY7; E1B6W7; Q2TA78; Q6ZMI6; Q8IW83; Q8J029; Q96ES8

Background:

Protein phosphatase 1 regulatory subunit 21, also known as Coiled-coil domain-containing protein 128 and KLRAQ motif-containing protein 1, plays a crucial role in regulating protein phosphatase 1 (PP1) activity. This regulation is vital for various cellular processes, including the endosomal sorting process and endosome maturation pathway. The protein's involvement in these pathways underscores its importance in maintaining cellular function and integrity.

Therapeutic significance:

The protein is linked to a neurodevelopmental disorder characterized by hypotonia, facial dysmorphism, and brain abnormalities. This association highlights the protein's potential as a target for therapeutic intervention. Understanding the role of Protein phosphatase 1 regulatory subunit 21 could open doors to potential therapeutic strategies, offering hope for patients suffering from this debilitating condition.