Focused On-demand Library for DNA-binding protein SMUBP-2

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P38935

UPID:
SMBP2_HUMAN

ALTERNATIVE NAMES:
ATP-dependent helicase IGHMBP2; Glial factor 1; Immunoglobulin mu-binding protein 2

ALTERNATIVE UPACC:
P38935; A0PJD2; Q00443; Q14177

BACKGROUND:
The protein DNA-binding protein SMUBP-2, with alternative names such as Glial factor 1 and Immunoglobulin mu-binding protein 2, is essential for the ATP-dependent unwinding of RNA and DNA duplexes. Its affinity for 5'-phosphorylated single-stranded guanine-rich sequences suggests a specific role in the regulation of gene expression and nucleic acid processing. Interactions with tRNA-Tyr further hint at its involvement in critical cellular functions like translation and ribosome assembly.

THERAPEUTIC SIGNIFICANCE:
Mutations in the gene encoding DNA-binding protein SMUBP-2 are responsible for causing Neuronopathy, distal hereditary motor, 6, and Charcot-Marie-Tooth disease, axonal, 2S. These conditions highlight the protein's importance in motor neuron integrity and peripheral nerve function. Targeting DNA-binding protein SMUBP-2 for therapeutic intervention could provide a novel approach to treating these neurodegenerative diseases.

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