Focused On-demand Library for Inorganic pyrophosphatase 2, mitochondrial

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.

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

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

Q9H2U2

UPID:

IPYR2_HUMAN

Alternative names:

Pyrophosphatase SID6-306; Pyrophosphate phospho-hydrolase 2

Alternative UPACC:

Q9H2U2; B4DLP7; F8WDN9; I6L9B6; Q4W5E9; Q6PG51; Q8TBW0; Q96E55; Q9H0T0; Q9NX37; Q9P033; Q9ULX0

Background:

Inorganic pyrophosphatase 2, mitochondrial, also known as Pyrophosphatase SID6-306 and Pyrophosphate phospho-hydrolase 2, plays a pivotal role in the hydrolysis of inorganic pyrophosphate. This activity is crucial for the regulation of mitochondrial membrane potential, alongside maintaining mitochondrial organization and function.

Therapeutic significance:

Linked to sudden cardiac failure, both alcohol-induced and infantile, this protein's mutations underscore its critical role in cardiac health. Understanding the role of Inorganic pyrophosphatase 2, mitochondrial could open doors to potential therapeutic strategies for these life-threatening conditions.