AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DnaJ homolog subfamily C member 5

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 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.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Q9H3Z4

UPID:

DNJC5_HUMAN

Alternative names:

Ceroid-lipofuscinosis neuronal protein 4; Cysteine string protein

Alternative UPACC:

Q9H3Z4; A8K0M0; B3KY68; E1P5G8; Q9H3Z5; Q9H7H2

Background:

DnaJ homolog subfamily C member 5, also known as Ceroid-lipofuscinosis neuronal protein 4 and Cysteine string protein, plays a crucial role in regulated exocytosis, acting as a general chaperone. It serves as a co-chaperone for the SNARE protein SNAP-25 and is involved in the calcium-mediated control of a late stage of exocytosis. Its involvement in calcium-dependent neurotransmitter release at nerve endings underscores its importance in presynaptic function.

Therapeutic significance:

The protein is linked to Ceroid lipofuscinosis, neuronal, 4B (Kufs type), a neurodegenerative disease characterized by seizures and other neurologic symptoms. Understanding the role of DnaJ homolog subfamily C member 5 could open doors to potential therapeutic strategies for this condition.

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