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

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q9P2R7

UPID:

SUCB1_HUMAN

Alternative names:

ATP-specific succinyl-CoA synthetase subunit beta; Succinyl-CoA synthetase beta-A chain

Alternative UPACC:

Q9P2R7; B2RDE7; O95194; Q5T9Q4; Q5T9Q6; Q9NV21; Q9NVP7

Background:

The Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial, also known as ATP-specific succinyl-CoA synthetase subunit beta, plays a pivotal role in the citric acid cycle (TCA). It is unique in coupling the hydrolysis of succinyl-CoA to ATP synthesis, marking the sole substrate-level phosphorylation step in the TCA cycle. This enzyme's beta subunit is crucial for nucleotide specificity and succinate binding.

Therapeutic significance:

Mitochondrial DNA depletion syndrome 5, a disorder stemming from mitochondrial dysfunction, is linked to this protein. Understanding the role of Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial could open doors to potential therapeutic strategies for this syndrome, highlighting its clinical importance.