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.
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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O14964
UPID:
HGS_HUMAN
Alternative names:
Hrs; Protein pp110
Alternative UPACC:
O14964; Q9NR36
Background:
The Hepatocyte growth factor-regulated tyrosine kinase substrate (Hrs), also known as Protein pp110, plays a pivotal role in intracellular signal transduction mediated by cytokines and growth factors. It is a direct effector of PI3-kinase in the vesicular pathway, regulating trafficking to early and late endosomes and concentrating ubiquitinated receptors within clathrin-coated regions. Hrs is crucial in down-regulating receptor tyrosine kinase via multivesicular bodies when complexed with STAM, and in receptor recycling through its association with the CART complex.
Therapeutic significance:
Understanding the role of Hepatocyte growth factor-regulated tyrosine kinase substrate could open doors to potential therapeutic strategies.