AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Disrupted in schizophrenia 1 protein

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Reaxense

upacc

Q9NRI5

UPID:

DISC1_HUMAN

Alternative names:

-

Alternative UPACC:

Q9NRI5; A6NLH2; C4P091; C4P095; C4P0A1; C4P0A3; C4P0B3; C4P0B6; C4P0C1; C9J6D0; O75045; Q5VT44; Q5VT45; Q8IXJ0; Q8IXJ1; Q9BX19; Q9NRI3; Q9NRI4

Background:

The Disrupted in Schizophrenia 1 protein plays a pivotal role in neurogenesis, influencing embryonic and adult brain development. It is essential for neural progenitor proliferation and participates in Wnt-mediated neural progenitor proliferation by modulating GSK3B activity and CTNNB1 abundance. Additionally, it acts as a modulator of the AKT-mTOR signaling pathway, crucial for neuron integration during adult neurogenesis.

Therapeutic significance:

Given its association with Schizophrenia 9, understanding the role of Disrupted in Schizophrenia 1 protein could open doors to potential therapeutic strategies. Its involvement in neurogenesis and neural progenitor proliferation presents a promising avenue for exploring treatments for schizophrenia and possibly other neurodevelopmental disorders.

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