AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nicotinate phosphoribosyltransferase

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 employ our advanced, specialised process to create targeted 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

Q6XQN6

UPID:

PNCB_HUMAN

Alternative names:

FHA-HIT-interacting protein; Nicotinate phosphoribosyltransferase domain-containing protein 1

Alternative UPACC:

Q6XQN6; A7BFI3; Q6PJL1; Q6XQN4; Q6XQN5; Q8N5E8; Q9BRG0

Background:

Nicotinate phosphoribosyltransferase, also known as FHA-HIT-interacting protein, plays a pivotal role in NAD biosynthesis. It catalyzes the ATP-dependent synthesis of beta-nicotinate D-ribonucleotide from nicotinate and 5-phospho-D-ribose 1-phosphate. This enzyme is crucial for preventing cellular oxidative stress by facilitating the production of NAD, a vital coenzyme in redox reactions.

Therapeutic significance:

Understanding the role of Nicotinate phosphoribosyltransferase could open doors to potential therapeutic strategies. Its essential function in NAD biosynthesis and oxidative stress prevention highlights its potential as a target for drug discovery efforts aimed at metabolic and oxidative stress-related diseases.

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