Focused On-demand Library for AFG1-like ATPase

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 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

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.