Focused On-demand Library for Protein ABHD16B

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.

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.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

Q9H3Z7

UPID:

ABHGB_HUMAN

Alternative names:

Alpha/beta hydrolase domain-containing protein 16B

Alternative UPACC:

Q9H3Z7

Background:

Protein ABHD16B, known as Alpha/beta hydrolase domain-containing protein 16B, plays a crucial role in cellular processes with its enzymatic functions. Despite its significance, the specific activities and mechanisms of ABHD16B in the human body are under extensive research. Its unique structure and enzymatic properties make it a subject of interest in the field of biochemistry and molecular biology.

Therapeutic significance:

Understanding the role of Protein ABHD16B could open doors to potential therapeutic strategies. The exploration of its functions and interactions within cellular pathways holds promise for the development of novel treatments, particularly in diseases where its activity is dysregulated.