Focused On-demand Library for CDAN1-interacting nuclease 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

We utilise our cutting-edge, exclusive workflow to develop 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

Q9Y2V0

UPID:

CDIN1_HUMAN

Alternative names:

Protein HH114

Alternative UPACC:

Q9Y2V0; B2RD87

Background:

CDAN1-interacting nuclease 1, also known as Protein HH114, plays a pivotal role in erythroid cell differentiation. This protein's involvement in the maturation and development of red blood cells underscores its importance in hematopoiesis. The unique structural features of CDAN1-interacting nuclease 1, including its interaction with other cellular components, make it a key player in the maintenance of erythrocyte integrity.

Therapeutic significance:

The association of CDAN1-interacting nuclease 1 with congenital dyserythropoietic anemia, 1B, a disorder marked by ineffective erythropoiesis and macrocytic anemia, highlights its therapeutic potential. Targeting the pathways involving this protein could lead to innovative treatments for this and related blood disorders, offering hope for patients suffering from these conditions.