AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Caspase-6

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted 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

P55212

UPID:

CASP6_HUMAN

Alternative names:

Apoptotic protease Mch-2

Alternative UPACC:

P55212; Q9BQE7

Background:

Caspase-6, known as Apoptotic protease Mch-2, is a cysteine protease pivotal in programmed cell death, axonal degeneration, and innate immunity. It facilitates apoptosis by cleaving nuclear proteins like NUMA1 and lamin A, essential for nuclear disassembly. Beyond apoptosis, Caspase-6 is involved in liver damage regulation, intrinsic apoptosis through RIPK1 cleavage, and transcription factor processing. It also plays a crucial role in defense against viruses by mediating PANoptosis, a unique cell death pathway.

Therapeutic significance:

Understanding the role of Caspase-6 could open doors to potential therapeutic strategies.

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