Focused On-demand Library for Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, 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.

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.

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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

P53597

UPID:

SUCA_HUMAN

Alternative names:

Succinyl-CoA synthetase subunit alpha

Alternative UPACC:

P53597; Q9BWB0; Q9UNP6

Background:

The Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial, also known as Succinyl-CoA synthetase subunit alpha, plays a pivotal role in the citric acid cycle (TCA). It is the sole enzyme in the TCA that performs substrate-level phosphorylation, converting succinyl-CoA to succinate while synthesizing ATP or GTP. This process is crucial for cellular energy production.

Therapeutic significance:

Mitochondrial DNA depletion syndrome 9, a severe disorder stemming from mitochondrial dysfunction, is linked to mutations in the gene encoding this protein. Understanding the role of Succinate--CoA ligase [ADP/GDP-forming] subunit alpha could open doors to potential therapeutic strategies for this debilitating condition.