Focused On-demand Library for Glycogen phosphorylase, brain form

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted 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 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

P11216

UPID:

PYGB_HUMAN

Alternative names:

Alternative UPACC:

P11216; Q96AK1; Q9NPX8

Background:

Glycogen phosphorylase, brain form, identified by the accession number P11216, plays a pivotal role in glycogen mobilization, as highlighted in recent studies (PubMed:27402852). This enzyme is a key player in carbohydrate metabolism, acting as an important allosteric enzyme (PubMed:3346228). Despite variations in regulatory mechanisms and natural substrates across different sources, all phosphorylases share common catalytic and structural properties (PubMed:3346228), underscoring the enzyme's fundamental role in energy regulation.

Therapeutic significance:

Understanding the role of Glycogen phosphorylase, brain form, could open doors to potential therapeutic strategies. Its central function in glycogen mobilization and carbohydrate metabolism positions it as a potential target for interventions in metabolic disorders.