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

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Receptor.AI
 
UPACC
Q9UDY8

UPID:
MALT1_HUMAN

ALTERNATIVE NAMES:
MALT lymphoma-associated translocation; Paracaspase

ALTERNATIVE UPACC:
Q9UDY8; Q9NTB7; Q9ULX4

BACKGROUND:
The protein Mucosa-associated lymphoid tissue lymphoma translocation protein 1, or MALT1, is a key player in immune signaling. It functions by forming CBM complexes that activate crucial pathways for immune response, including NF-kappa-B and MAP kinase p38. MALT1's role extends to mediating BCL10 cleavage and facilitating T helper 17 cells differentiation, essential for a robust immune defense.

THERAPEUTIC SIGNIFICANCE:
Given MALT1's critical role in Immunodeficiency 12, where patients suffer from recurrent infections due to impaired immune responses, targeting MALT1 presents a promising therapeutic strategy. Enhancing our understanding of MALT1 could lead to innovative treatments for immunodeficiencies and potentially other immune-related diseases.

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