AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Caspase-10

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q92851

UPID:

CASPA_HUMAN

Alternative names:

Apoptotic protease Mch-4; FAS-associated death domain protein interleukin-1B-converting enzyme 2; ICE-like apoptotic protease 4

Alternative UPACC:

Q92851; Q68HC0; Q6KF62; Q6KF63; Q8IUP5; Q8WYQ8; Q99845; Q9Y2U6; Q9Y2U7

Background:

Caspase-10, known by alternative names such as Apoptotic protease Mch-4 and ICE-like apoptotic protease 4, plays a pivotal role in the apoptosis execution pathway. It is recruited to Fas- and TNFR-1 receptors, participating in the activation cascade of caspases and the granzyme B apoptotic pathways. This protein is capable of cleaving and activating several effector caspases, highlighting its central role in cell death and survival mechanisms.

Therapeutic significance:

Caspase-10's involvement in diseases like Autoimmune lymphoproliferative syndrome 2A, Familial non-Hodgkin lymphoma, and Gastric cancer underscores its potential as a therapeutic target. Understanding the role of Caspase-10 could open doors to potential therapeutic strategies, offering hope for treatments that could modulate apoptosis in these conditions.

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