Focused On-demand Library for ATP synthase mitochondrial F1 complex assembly factor 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8N5M1

UPID:

ATPF2_HUMAN

Alternative names:

ATP12 homolog

Alternative UPACC:

Q8N5M1; A6NDE5; A8K2J2; Q6XYC7

Background:

ATP synthase mitochondrial F1 complex assembly factor 2, also known as ATP12 homolog, plays a crucial role in cellular energy production. It is instrumental in the assembly of the F1 component of the mitochondrial ATP synthase, a key enzyme in the process of ATP synthesis. This protein's function is vital for maintaining the mitochondrial integrity and energy metabolism.

Therapeutic significance:

The protein is linked to Mitochondrial complex V deficiency, nuclear type 1, a disorder characterized by a wide range of clinical manifestations including growth retardation and cardiomyopathy. Understanding the role of ATP synthase mitochondrial F1 complex assembly factor 2 could open doors to potential therapeutic strategies for this mitochondrial disorder.