AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for ATP synthase subunit epsilon, mitochondrial

Available from Reaxense
Predicted by Alphafold

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

P56381

UPID:

ATP5E_HUMAN

Alternative names:

ATP synthase F1 subunit epsilon

Alternative UPACC:

P56381; B2RDD0; E1P5H6; Q53XU6

Background:

ATP synthase subunit epsilon, mitochondrial, also known as ATP synthase F1 subunit epsilon, plays a pivotal role in cellular energy production. It is a crucial component of the mitochondrial membrane ATP synthase (Complex V), which generates ATP from ADP, utilizing a proton gradient created by the respiratory chain. This process involves a sophisticated mechanism where the rotation of the central stalk within the complex facilitates ATP synthesis in the catalytic domain.

Therapeutic significance:

The protein is linked to Mitochondrial complex V deficiency, nuclear type 3, a disorder characterized by diverse clinical symptoms including growth retardation and elevated lactate levels. Understanding the role of ATP synthase subunit epsilon, mitochondrial could open doors to potential therapeutic strategies for this mitochondrial disorder.

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