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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q03181
UPID:
PPARD_HUMAN
Alternative names:
NUCI; Nuclear hormone receptor 1; Nuclear receptor subfamily 1 group C member 2; Peroxisome proliferator-activated receptor beta
Alternative UPACC:
Q03181; A8K6J6; B4E3V3; B6ZGS1; B7Z3W1; E9PE18; Q5D1P0; Q7Z5K0; Q9BUD4
Background:
The Peroxisome proliferator-activated receptor delta (PPAR delta), also known as Nuclear hormone receptor 1, plays a pivotal role in energy metabolism within adipose tissues. It functions as a ligand-activated transcription factor, binding to hypolipidemic drugs and fatty acids, with a preference for poly-unsaturated types like gamma-linoleic acid. Upon activation, PPAR delta influences the expression of genes involved in the peroxisomal beta-oxidation pathway and acts as a transcription activator for the acyl-CoA oxidase gene.
Therapeutic significance:
Understanding the role of Peroxisome proliferator-activated receptor delta could open doors to potential therapeutic strategies.