Focused On-demand Library for Tryptase alpha/beta-1

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.

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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q15661

UPID:

TRYB1_HUMAN

Alternative names:

Tryptase I; Tryptase alpha-1

Alternative UPACC:

Q15661; D2E6R9; D2E6S1; P15157; Q15663; Q6B052; Q9H2Y4; Q9H2Y5; Q9UQI1

Background:

Tryptase alpha/beta-1, also known as Tryptase I or Tryptase alpha-1, is the principal neutral protease in mast cells, released during the activation-degranulation response. This enzyme plays a pivotal role in innate immunity, with isoform 2 showing higher efficiency in cleaving large substrates like fibronectin compared to isoform 1, albeit with reduced efficacy on smaller substrates.

Therapeutic significance:

Understanding the role of Tryptase alpha/beta-1 could open doors to potential therapeutic strategies. Its involvement in mast cell activation suggests a key position in allergic reactions and other immune responses, making it a compelling target for drug discovery efforts aimed at modulating immune system disorders.