Focused On-demand Library for Mucosa-associated lymphoid tissue lymphoma translocation protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q9UDY8

UPID:

MALT1_HUMAN

Alternative names:

MALT lymphoma-associated translocation; Paracaspase

Alternative UPACC:

Q9UDY8; Q9NTB7; Q9ULX4

Background:

Mucosa-associated lymphoid tissue lymphoma translocation protein 1, also known as MALT1, plays a pivotal role in immune response. It enhances BCL10-induced activation, crucial for NF-kappa-B and MAP kinase p38 pathways, leading to pro-inflammatory cytokines and chemokines expression. MALT1's protease activity is vital for T-cell antigen receptor-induced integrin adhesion and T helper 17 cells differentiation, marking its significance in adaptive and innate immunity.

Therapeutic significance:

MALT1's involvement in Immunodeficiency 12, characterized by recurrent infections and impaired T-cell responses, underscores its therapeutic potential. Targeting MALT1 could offer new avenues for treating primary immunodeficiencies and related immune disorders, highlighting the importance of understanding its biological mechanisms.