Focused On-demand Library for ATP synthase subunit beta, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 employ our advanced, specialised process to create 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.

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

P06576

UPID:

ATPB_HUMAN

Alternative names:

ATP synthase F1 subunit beta

Alternative UPACC:

P06576; A8K4X0; Q14283

Background:

ATP synthase subunit beta, mitochondrial, also known as ATP synthase F1 subunit beta, plays a pivotal role in cellular energy production. It is integral to the mitochondrial membrane ATP synthase complex, which generates ATP from ADP, utilizing a proton gradient created by respiratory chain complexes. This process involves a sophisticated mechanism where ATP synthesis is coupled with proton translocation through a rotary action of central stalk subunits.

Therapeutic significance:

The protein is linked to Hypermetabolism due to uncoupled mitochondrial oxidative phosphorylation 2, a disorder manifesting in infancy with symptoms like euthyroid hypermetabolism and developmental delay. Understanding the role of ATP synthase subunit beta, mitochondrial could open doors to potential therapeutic strategies for this and related mitochondrial disorders.