Focused On-demand Library for Succinate--CoA ligase [GDP-forming] subunit beta, mitochondrial

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q96I99

UPID:

SUCB2_HUMAN

Alternative names:

GTP-specific succinyl-CoA synthetase subunit beta; Succinyl-CoA synthetase beta-G chain

Alternative UPACC:

Q96I99; C9JVT2; O95195; Q6NUH7; Q86VX8; Q8WUQ1

Background:

The Succinate--CoA ligase [GDP-forming] subunit beta, mitochondrial, also known as GTP-specific succinyl-CoA synthetase subunit beta, plays a pivotal role in the citric acid cycle (TCA). It is the sole enzyme responsible for substrate-level phosphorylation within the TCA, converting succinyl-CoA to succinate while synthesizing GTP. This process is crucial for cellular energy production, with the beta subunit ensuring nucleotide specificity and substrate binding.

Therapeutic significance:

Understanding the role of Succinate--CoA ligase [GDP-forming] subunit beta, mitochondrial could open doors to potential therapeutic strategies. Its central function in energy metabolism positions it as a key target for interventions in metabolic disorders.