Focused On-demand Library for Holocytochrome c-type synthase

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P53701

UPID:
CCHL_HUMAN

ALTERNATIVE NAMES:
Cytochrome c-type heme lyase

ALTERNATIVE UPACC:
P53701; B3KUS1; Q502X8

BACKGROUND:
The enzyme Holocytochrome c-type synthase, alternatively known as Cytochrome c-type heme lyase, is essential for the biosynthesis of cytochrome c in mitochondria, facilitating the final step of heme attachment. This enzymatic activity is crucial for the mitochondrial function and, by extension, cellular energy metabolism.

THERAPEUTIC SIGNIFICANCE:
The association of Holocytochrome c-type synthase with Linear skin defects with multiple congenital anomalies 1 underscores its potential as a therapeutic target. Exploring the enzyme's role in this genetic disorder could lead to novel interventions aimed at mitigating the disease's impact on affected individuals.

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