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 utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O14842
UPID:
FFAR1_HUMAN
Alternative names:
G-protein coupled receptor 40
Alternative UPACC:
O14842; Q0VAS2; Q4VBL4
Background:
Free fatty acid receptor 1, also known as G-protein coupled receptor 40, is pivotal in glucose homeostasis. It responds to various fatty acids, enhancing glucose-stimulated insulin secretion and possibly glucagon-like peptide 1 (GLP-1) secretion. This receptor is involved in bone homeostasis by inhibiting osteoclast differentiation and mediates anti-inflammatory effects of omega-3 polyunsaturated fatty acids through NLRP3 inflammasome inhibition.
Therapeutic significance:
Understanding the role of Free fatty acid receptor 1 could open doors to potential therapeutic strategies.