Focused On-demand Library for Enoyl-[acyl-carrier-protein] reductase, mitochondrial

Available from Reaxense
Predicted by Alphafold

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.

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.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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.







Alternative names:

2-enoyl thioester reductase; Nuclear receptor-binding factor 1

Alternative UPACC:

Q9BV79; B3KT72; Q5SYU0; Q5SYU1; Q5SYU2; Q6IBU9; Q9Y373


Enoyl-[acyl-carrier-protein] reductase, mitochondrial, also known as 2-enoyl thioester reductase and Nuclear receptor-binding factor 1, plays a crucial role in mitochondrial fatty acid synthesis. It catalyzes the NADPH-dependent reduction of trans-2-enoyl thioesters, showing a preference for medium-chain substrates. This enzyme is pivotal in providing the octanoyl chain for lipoic acid biosynthesis, which is essential for protein lipoylation and mitochondrial respiratory activity, especially in Purkinje cells.

Therapeutic significance:

The enzyme's dysfunction is linked to Dystonia, childhood-onset, with optic atrophy and basal ganglia abnormalities, a neurologic disorder characterized by dystonia, basal ganglia degeneration, and optic atrophy. Understanding the role of Enoyl-[acyl-carrier-protein] reductase could open doors to potential therapeutic strategies for this and related disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.