AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DIS3-like exonuclease 2

Available from Reaxense
Predicted by Alphafold

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.

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 for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8IYB7

UPID:

DI3L2_HUMAN

Alternative names:

-

Alternative UPACC:

Q8IYB7; Q53S79; Q580W6; Q5XKH0; Q69YG5; Q6AW99; Q7Z4T6; Q8N9K9

Background:

DIS3-like exonuclease 2 plays a crucial role in RNA metabolism, specifically targeting RNAs polyuridylated at their 3' end for degradation. This includes mRNAs and miRNAs, essential for cellular processes such as mitosis and cell proliferation regulation. Its involvement in embryonic stem cell maintenance underscores its significance in developmental biology.

Therapeutic significance:

Perlman syndrome, characterized by congenital overgrowth and a high risk of Wilms tumor, is linked to mutations affecting DIS3-like exonuclease 2. Understanding this protein's role could pave the way for innovative treatments targeting the underlying genetic causes of this syndrome.

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