Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase MINDY-2

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. 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.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q8NBR6

UPID:
MINY2_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme MINDY-2; Protein FAM63B

ALTERNATIVE UPACC:
Q8NBR6; B2RTT8; Q9ULQ6

BACKGROUND:
The enzyme Ubiquitin carboxyl-terminal hydrolase MINDY-2, known alternatively as Deubiquitinating enzyme MINDY-2 or Protein FAM63B, functions as a hydrolase. It is adept at detaching 'Lys-48'-linked ubiquitin from proteins, interacting with polyubiquitin chains of diverse linkage types such as 'Lys-6', 'Lys-11', 'Lys-29', 'Lys-33', 'Lys-48', and 'Lys-63'. Its role is pivotal in the regulation of protein degradation and turnover.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Ubiquitin carboxyl-terminal hydrolase MINDY-2 holds promise for unveiling novel therapeutic avenues.

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