Focused On-demand Library for Phospholipid-transporting ATPase VB

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

O94823

UPID:

AT10B_HUMAN

Alternative names:

ATPase class V type 10B; P4-ATPase flippase complex alpha subunit ATP10B

Alternative UPACC:

O94823; Q9H725

Background:

Phospholipid-transporting ATPase VB, also known as ATPase class V type 10B or P4-ATPase flippase complex alpha subunit ATP10B, is a pivotal enzyme in cellular processes. It functions as a catalytic component of a P4-ATPase flippase complex, facilitating the hydrolysis of ATP coupled with the transport of glucosylceramide from the outer to the inner leaflet of lysosome membranes. This activity is crucial for maintaining lysosome membrane integrity and function, especially in cortical neurons.

Therapeutic significance:

Understanding the role of Phospholipid-transporting ATPase VB could open doors to potential therapeutic strategies.