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.
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 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H869
UPID:
YYAP1_HUMAN
Alternative names:
Hepatocellular carcinoma susceptibility protein; Hepatocellular carcinoma-associated protein 2
Alternative UPACC:
Q9H869; B0QZ54; B4DMP2; B4E0I0; D3DV96; D3DV98; H7BY62; Q5VYZ1; Q5VYZ4; Q5VYZ7; Q7L4C3; Q7L5E2; Q8IXA6; Q8TEW5; Q8TF04; Q96HB6; Q9BQ64; Q9NV84
Background:
YY1-associated protein 1, also known as Hepatocellular carcinoma susceptibility protein and Hepatocellular carcinoma-associated protein 2, plays a pivotal role in cellular processes. It is part of the INO80 chromatin remodeling complex, contributing to transcriptional regulation, DNA repair, and replication. Additionally, it enhances transcription activation by YY1 and is involved in cell cycle regulation.
Therapeutic significance:
Grange syndrome, a disease characterized by multiple artery stenosis or occlusion, congenital heart defects, and learning disabilities, is linked to variants affecting YY1-associated protein 1. Understanding the role of YY1-associated protein 1 could open doors to potential therapeutic strategies for this complex condition.