Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 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:
partner
Reaxense
upacc
Q9BW60
UPID:
ELOV1_HUMAN
Alternative names:
3-keto acyl-CoA synthase ELOVL1; ELOVL fatty acid elongase 1; Very long chain 3-ketoacyl-CoA synthase 1; Very long chain 3-oxoacyl-CoA synthase 1
Alternative UPACC:
Q9BW60; B4DP24; Q53HT2; Q5JUY3; Q8WXU3; Q9NVD9; Q9Y396
Background:
Elongation of very long chain fatty acids protein 1 (ELOVL1) plays a pivotal role in the biosynthesis of long-chain fatty acids, catalyzing the initial and rate-limiting step in the elongation cycle. This enzyme is crucial for the production of saturated and monounsaturated very long-chain fatty acids (VLCFAs), which are essential components of membrane lipids and lipid mediators. ELOVL1's activity is highest towards C22:0 acyl-CoA, contributing significantly to the synthesis of C24:0 and C24:1 sphingolipids.
Therapeutic significance:
ELOVL1's mutation is linked to a rare autosomal dominant disorder characterized by ichthyosis, spastic paraplegia, and dysmorphic facies, highlighting its critical role in human health. Understanding the function of ELOVL1 could pave the way for novel therapeutic approaches targeting skin disorders and neurological conditions.