Focused On-demand Library for Protoporphyrinogen oxidase

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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
P50336

UPID:
PPOX_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P50336; D3DVG0; Q5VTW8

BACKGROUND:
The enzyme protoporphyrinogen oxidase is essential in the pathway leading to heme production, facilitating the conversion of protoporphyrinogen-IX into protoporphyrin-IX. Its function is critical in maintaining the balance of heme synthesis, which is necessary for the proper functioning of various biological systems.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Protoporphyrinogen oxidase could open doors to potential therapeutic strategies. Given its involvement in Variegate porphyria, a condition marked by a spectrum of symptoms including skin issues and systemic disturbances, targeting this enzyme could offer new avenues for treatment and management of porphyria and related disorders.

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