Focused On-demand Library for PAT complex subunit CCDC47

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.

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.

Our high-tech, dedicated method is applied to construct targeted 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

Q96A33

UPID:

CCD47_HUMAN

Alternative names:

Calumin; Coiled-coil domain-containing protein 47

Alternative UPACC:

Q96A33; B2RAS8; D3DU20; Q96D00; Q96JZ7; Q9H3E4; Q9NRG3

Background:

PAT complex subunit CCDC47, also known as Calumin or Coiled-coil domain-containing protein 47, plays a crucial role in protein insertion into the lipid bilayer of membranes. It is part of the multi-pass translocon (MPT) complex, succeeding the SEC61 complex in membrane protein insertion. CCDC47 is instrumental in sequestering highly polar regions of transmembrane domains, regulating calcium ion homeostasis in the ER, and is essential for ER organization during embryogenesis.

Therapeutic significance:

CCDC47's involvement in Trichohepatoneurodevelopmental syndrome, a disorder characterized by diverse symptoms including liver dysfunction and developmental delay, underscores its potential as a target for therapeutic intervention. Understanding the role of CCDC47 could open doors to potential therapeutic strategies.