Focused On-demand Library for Cell cycle control protein 50A

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9NV96

UPID:

CC50A_HUMAN

Alternative names:

P4-ATPase flippase complex beta subunit TMEM30A; Transmembrane protein 30A

Alternative UPACC:

Q9NV96; A8K9V8; E1P539; Q658Z3; Q96H09; Q9NSL9

Background:

The Cell cycle control protein 50A, also known as the P4-ATPase flippase complex beta subunit TMEM30A, plays a crucial role in maintaining the asymmetric distribution of phospholipids across membranes. This protein is essential for the proper folding, assembly, and transport of the ATP8A2:TMEM30A flippase complex, which is involved in phospholipid translocation, vesicle formation, and uptake of lipid signaling molecules. The ATP8A1:TMEM30A complex, in particular, is implicated in cell migration by mediating phosphatidylethanolamine translocation at the plasma membrane.

Therapeutic significance:

Understanding the role of Cell cycle control protein 50A could open doors to potential therapeutic strategies.