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:
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.