AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Porphobilinogen deaminase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

P08397

UPID:

HEM3_HUMAN

Alternative names:

Hydroxymethylbilane synthase; Pre-uroporphyrinogen synthase

Alternative UPACC:

P08397; A8K2L0; G3V1P4; G5EA58; P08396; Q16012

Background:

Porphobilinogen deaminase, also known as Hydroxymethylbilane synthase or Pre-uroporphyrinogen synthase, plays a crucial role in the heme biosynthetic pathway. It catalyzes the polymerization of porphobilinogen to form hydroxymethylbilane, a key precursor in the synthesis of heme, an essential component of hemoglobin, myoglobin, and various cytochromes.

Therapeutic significance:

Mutations in Porphobilinogen deaminase are linked to Acute Intermittent Porphyria (AIP), a condition characterized by gastrointestinal disturbances, neurological dysfunctions, and cardiovascular issues. Understanding the enzyme's function and its genetic variants opens avenues for targeted therapies, potentially offering relief to those affected by AIP.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.
No Spam. Cancel Anytime.