Focused On-demand Library for Netrin receptor DCC

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.

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

P43146

UPID:

DCC_HUMAN

Alternative names:

Colorectal cancer suppressor; Immunoglobulin superfamily DCC subclass member 1; Tumor suppressor protein DCC

Alternative UPACC:

P43146

Background:

The Netrin receptor DCC, also known as Colorectal cancer suppressor and Tumor suppressor protein DCC, plays a pivotal role in axon guidance. It functions as a receptor for netrin, mediating axon attraction in the developing nervous system and is essential for neuronal growth cone guidance. Additionally, DCC acts as a dependence receptor, initiating apoptosis in the absence of its ligand, netrin, highlighting its complex role in cellular signaling.

Therapeutic significance:

DCC's involvement in Mirror movements 1 and Gaze palsy with progressive scoliosis underscores its clinical relevance. These disorders, linked to genetic variants affecting DCC, manifest in neurological and developmental challenges. Understanding DCC's role could unveil new therapeutic strategies, particularly in neurodevelopmental disorders and cancer suppression, given its tumor suppressor function.