AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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 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.

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

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.

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