AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cytochrome c

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

P99999

UPID:

CYC_HUMAN

Alternative names:

-

Alternative UPACC:

P99999; A4D166; B2R4I1; P00001; Q6NUR2; Q6NX69; Q96BV4

Background:

Cytochrome c plays a pivotal role in cellular energy production and apoptosis. As an electron carrier protein, it facilitates the transfer of electrons within the mitochondrial electron-transport chain, crucial for ATP synthesis. Additionally, its involvement in apoptosis, through the regulation of mitochondrial membrane permeability and activation of caspases, underscores its importance in cellular homeostasis.

Therapeutic significance:

Given its role in Thrombocytopenia 4, a disorder characterized by reduced platelet count and clotting capability, Cytochrome c's study is vital. Understanding the mechanisms by which variants affecting Cytochrome c contribute to this condition could lead to targeted therapeutic strategies, enhancing treatment options for affected individuals.

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