AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Uroporphyrinogen decarboxylase

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P06132

UPID:

DCUP_HUMAN

Alternative names:

-

Alternative UPACC:

P06132; A8K762; Q16863; Q16883; Q53YB8; Q53ZP6; Q6IB28; Q9BUZ0

Background:

Uroporphyrinogen decarboxylase plays a pivotal role in the heme biosynthetic pathway, catalyzing the decarboxylation of uroporphyrinogen's acetate side chains to form coproporphyrinogen. This enzyme's activity is crucial for the production of heme, a component vital for oxygen transport and energy production in cells.

Therapeutic significance:

Mutations in uroporphyrinogen decarboxylase are linked to disorders such as Familial porphyria cutanea tarda and Hepatoerythropoietic porphyria, characterized by dermatitis and liver damage. Understanding the enzyme's function could lead to targeted therapies for these porphyrias, offering hope for patients suffering from these conditions.

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