Focused On-demand Library for Mannose-1-phosphate guanyltransferase beta

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.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9Y5P6

UPID:

GMPPB_HUMAN

Alternative names:

GDP-mannose pyrophosphorylase B; GTP-mannose-1-phosphate guanylyltransferase beta

Alternative UPACC:

Q9Y5P6; A8K6N5; Q9H7U3

Background:

Mannose-1-phosphate guanyltransferase beta, also known as GDP-mannose pyrophosphorylase B, plays a crucial role in the biosynthesis of GDP-mannose. This metabolite is a vital precursor for glycan components of glycoproteins and glycolipids, essential for various cellular functions.

Therapeutic significance:

The protein is implicated in muscular dystrophy-dystroglycanopathy, a spectrum of disorders ranging from congenital muscular dystrophy with brain and eye anomalies to limb-girdle muscular dystrophy. These conditions underscore the protein's critical role in muscle integrity and neurological development.