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 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.