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

Details

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Receptor.AI
 
UPACC
P53597

UPID:
SUCA_HUMAN

ALTERNATIVE NAMES:
Succinyl-CoA synthetase subunit alpha

ALTERNATIVE UPACC:
P53597; Q9BWB0; Q9UNP6

BACKGROUND:
Succinyl-CoA synthetase subunit alpha is integral to the citric acid cycle, facilitating the conversion of succinyl-CoA to succinate. This reaction is unique in the TCA cycle as it involves substrate-level phosphorylation, producing ATP or GTP directly from the chemical energy of succinyl-CoA.

THERAPEUTIC SIGNIFICANCE:
The enzyme's dysfunction is implicated in Mitochondrial DNA depletion syndrome 9, characterized by severe mitochondrial failure. Exploring the functions of Succinate--CoA ligase [ADP/GDP-forming] subunit alpha offers a promising avenue for developing treatments for this and potentially other mitochondrial disorders.

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