AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Serpin B6

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

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

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P35237

UPID:

SPB6_HUMAN

Alternative names:

Cytoplasmic antiproteinase; Peptidase inhibitor 6; Placental thrombin inhibitor

Alternative UPACC:

P35237; B2RBA8; Q59F97; Q5TD06; Q7Z2Y7; Q96J44; Q9UDI7

Background:

Serpin B6, known by its alternative names such as Cytoplasmic antiproteinase, Peptidase inhibitor 6, and Placental thrombin inhibitor, plays a crucial role in the regulation of serine proteinases in the brain and other tissues. It acts as an inhibitor of cathepsin G, kallikrein-8, and thrombin, suggesting its protective role in various physiological processes.

Therapeutic significance:

Serpin B6's involvement in Deafness, autosomal recessive, 91, highlights its critical function in sensorineural hearing loss prevention. This connection underscores the potential of targeting Serpin B6 for therapeutic strategies aimed at mitigating hearing loss.

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