Focused On-demand Library for AFG1-like ATPase

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q8WV93

UPID:

AFG1L_HUMAN

Alternative names:

Lactation elevated protein 1; Protein AFG1 homolog

Alternative UPACC:

Q8WV93; Q8N6A3

Background:

AFG1-like ATPase, also known as Lactation elevated protein 1 and Protein AFG1 homolog, is a putative mitochondrial ATPase. It is pivotal in maintaining mitochondrial morphology and protein metabolism. This protein facilitates the degradation of surplus nuclear-encoded complex IV subunits (COX4I1, COX5A, and COX6A1), ensuring the optimal activity of complexes III and IV in the respiratory chain. Additionally, it plays a crucial role in mediating mitochondrial translocation of TP53, triggering apoptosis in response to genotoxic stress.

Therapeutic significance:

Understanding the role of AFG1-like ATPase could open doors to potential therapeutic strategies, particularly in enhancing mitochondrial function and inducing apoptosis in cancer cells.