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.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P12104
UPID:
FABPI_HUMAN
Alternative names:
Fatty acid-binding protein 2; Intestinal-type fatty acid-binding protein
Alternative UPACC:
P12104; Q2NKJ1
Background:
Fatty acid-binding protein 2 (FABP2), also known as Intestinal-type fatty acid-binding protein, plays a crucial role in the intracellular transport of long-chain fatty acids and their acyl-CoA esters. It is particularly involved in the synthesis of triglyceride-rich lipoproteins, binding saturated long-chain fatty acids with high affinity, while showing lower affinity for unsaturated ones. FABP2's function as a lipid sensor may also contribute to maintaining energy homeostasis.
Therapeutic significance:
Understanding the role of Fatty acid-binding protein, intestinal could open doors to potential therapeutic strategies.