Focused On-demand Library for Acyl-CoA dehydrogenase family member 11

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

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

Q709F0

UPID:

ACD11_HUMAN

Alternative names:

Alternative UPACC:

Q709F0; Q08AF0; Q658N9; Q658Y2; Q6ZND2; Q8WUT6; Q9H9R3

Background:

Acyl-CoA dehydrogenase family member 11 (ACAD11) is a crucial enzyme in fatty acid metabolism, primarily involved in the beta-oxidation pathway. It exhibits maximal activity towards saturated C22-CoA, indicating its pivotal role in energy production. ACAD11 is also speculated to influence the fatty acid composition of cellular lipids in the brain, highlighting its potential impact on neurological functions.

Therapeutic significance:

Understanding the role of Acyl-CoA dehydrogenase family member 11 could open doors to potential therapeutic strategies. Its involvement in fatty acid metabolism and energy production, coupled with its probable impact on brain lipid composition, makes it a promising target for addressing metabolic disorders and neurodegenerative diseases.