Focused On-demand Library for Enoyl-CoA delta isomerase 1, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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.

partner

Reaxense

upacc

P42126

UPID:

ECI1_HUMAN

Alternative names:

3,2-trans-enoyl-CoA isomerase; Delta(3),Delta(2)-enoyl-CoA isomerase; Dodecenoyl-CoA isomerase

Alternative UPACC:

P42126; A8K512; Q13290; Q7Z2L6; Q7Z2L7; Q9BUB8; Q9BW05; Q9UDG6

Background:

Enoyl-CoA delta isomerase 1, mitochondrial, also known as 3,2-trans-enoyl-CoA isomerase, plays a crucial role in lipid metabolism by isomerizing both 3-cis and 3-trans double bonds into the 2-trans form across various enoyl-CoA species. This enzyme's activity is pivotal in the beta-oxidation pathway of fatty acids within mitochondria, facilitating the breakdown and subsequent energy release from fatty acids.

Therapeutic significance:

Understanding the role of Enoyl-CoA delta isomerase 1 could open doors to potential therapeutic strategies. Its involvement in the fundamental process of fatty acid metabolism positions it as a potential target for disorders related to lipid storage and energy production.