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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 use our state-of-the-art dedicated workflow for designing 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 stands out due to several important features:
partner
Reaxense
upacc
P16070
UPID:
CD44_HUMAN
Alternative names:
CDw44; Epican; Extracellular matrix receptor III; GP90 lymphocyte homing/adhesion receptor; HUTCH-I; Heparan sulfate proteoglycan; Hermes antigen; Hyaluronate receptor; Phagocytic glycoprotein 1; Phagocytic glycoprotein I
Alternative UPACC:
P16070; A5YRN9; B6EAT9; D3DR12; D3DR13; O95370; P22511; Q04858; Q13419; Q13957; Q13958; Q13959; Q13960; Q13961; Q13967; Q13968; Q13980; Q15861; Q16064; Q16065; Q16066; Q16208; Q16522; Q86T72; Q86Z27; Q8N694; Q92493; Q96J24; Q9H5A5; Q9UC28; Q9UC29; Q9UC30; Q9UCB0; Q9UJ36
Background:
CD44 antigen, known by various names such as Epican and Hyaluronate receptor, is a cell-surface protein crucial for cell-cell interactions, adhesion, and migration. It binds to extracellular matrix components like hyaluronan, facilitating signal transduction that promotes cell migration and adhesion through calcium mobilization and cytoskeleton reorganization.
Therapeutic significance:
Understanding the role of CD44 antigen could open doors to potential therapeutic strategies. Its involvement in cell migration and adhesion underscores its potential as a target in diseases where these processes are dysregulated.