Focused On-demand Library for Phosphoribosylformylglycinamidine synthase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening 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 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

O15067

UPID:

PUR4_HUMAN

Alternative names:

Formylglycinamide ribonucleotide amidotransferase; Formylglycinamide ribotide amidotransferase; Phosphoribosylformylglycineamide amidotransferase

Alternative UPACC:

O15067; A6H8V8

Background:

Phosphoribosylformylglycinamidine synthase, known by alternative names such as Formylglycinamide ribonucleotide amidotransferase, plays a crucial role in the purines biosynthetic pathway. It catalyzes the ATP-dependent conversion of FGAR and glutamine to FGAM and glutamate, essential steps in nucleotide synthesis.

Therapeutic significance:

Understanding the role of Phosphoribosylformylglycinamidine synthase could open doors to potential therapeutic strategies. Its pivotal function in purine biosynthesis makes it a target for exploring novel drug discovery avenues.