Focused On-demand Library for Probable phospholipid-transporting ATPase IM

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused 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

Q8TF62

UPID:

AT8B4_HUMAN

Alternative names:

ATPase class I type 8B member 4; P4-ATPase flippase complex alpha subunit ATP8B4

Alternative UPACC:

Q8TF62; Q9H727

Background:

The Probable phospholipid-transporting ATPase IM, also known as ATPase class I type 8B member 4 or part of the P4-ATPase flippase complex alpha subunit ATP8B4, plays a crucial role in cellular processes. It is involved in the hydrolysis of ATP coupled with the transport of aminophospholipids across membranes, maintaining the asymmetric distribution of phospholipids. This function is vital for vesicle formation and the uptake of lipid signaling molecules.

Therapeutic significance:

Understanding the role of Probable phospholipid-transporting ATPase IM could open doors to potential therapeutic strategies.