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

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 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.

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.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96IJ6

UPID:

GMPPA_HUMAN

Alternative names:

GDP-mannose pyrophosphorylase A; GTP-mannose-1-phosphate guanylyltransferase alpha

Alternative UPACC:

Q96IJ6; A6NJ74; A8K3Q6; B3KMT4; Q53GI0; Q9NWC3; Q9Y5P5

Background:

Mannose-1-phosphate guanyltransferase alpha, also known as GDP-mannose pyrophosphorylase A, plays a crucial role in the biosynthesis of GDP-mannose. This molecule is essential for glycosylation, a process pivotal for the proper functioning of proteins and lipids. The enzyme's ability to act as a regulatory subunit and respond to allosteric feedback inhibition by GDP-mannose underscores its significance in metabolic regulation.

Therapeutic significance:

The enzyme is linked to Alacrima, achalasia, and impaired intellectual development syndrome, a disorder marked by alacrima, achalasia, and intellectual disability. Understanding the role of Mannose-1-phosphate guanyltransferase alpha could open doors to potential therapeutic strategies for this and related conditions.