Focused On-demand Library for Doublecortin domain-containing protein 2

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.

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.

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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

Q9UHG0

UPID:

DCDC2_HUMAN

Alternative names:

Protein RU2S

Alternative UPACC:

Q9UHG0; Q5VTR8; Q5VTR9; Q86W35; Q9UFD1; Q9UHG1; Q9ULR6

Background:

Doublecortin domain-containing protein 2, also known as Protein RU2S, plays a pivotal role in the inhibition of the canonical Wnt signaling pathway, crucial for cell fate determination, migration, and organogenesis. This protein is also implicated in neuronal migration during cerebral neocortex development and is vital for ciliogenesis and maintaining ciliary length, essential for cellular signaling and homeostasis.

Therapeutic significance:

Protein RU2S is associated with a spectrum of diseases, including Dyslexia 2, Nephronophthisis 19, autosomal recessive Deafness 66, and neonatal Sclerosing cholangitis. These associations highlight its potential as a therapeutic target for cognitive disorders, kidney and liver diseases, and hearing loss. Understanding the role of Protein RU2S could open doors to potential therapeutic strategies.