AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Holocytochrome c-type synthase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P53701

UPID:

CCHL_HUMAN

Alternative names:

Cytochrome c-type heme lyase

Alternative UPACC:

P53701; B3KUS1; Q502X8

Background:

Holocytochrome c-type synthase, also known as Cytochrome c-type heme lyase, plays a crucial role in the mitochondrial electron transport chain by catalyzing the attachment of heme to cytochrome c. This process is vital for the production of functional cytochrome c, a key component in cellular energy production.

Therapeutic significance:

Given its involvement in Linear skin defects with multiple congenital anomalies 1 (LSDMCA1), a disorder marked by severe developmental abnormalities, understanding the role of Holocytochrome c-type synthase could open doors to potential therapeutic strategies. Targeting this protein's function might offer insights into treating or managing the disease's complex symptoms.

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