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

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.