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 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 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P62745
UPID:
RHOB_HUMAN
Alternative names:
Rho cDNA clone 6
Alternative UPACC:
P62745; B2R692; P01121; Q5U0H6; Q7RTN5; Q7RTR9; Q9CUV7
Background:
Rho-related GTP-binding protein RhoB, also known as Rho cDNA clone 6, plays a pivotal role in cellular processes including apoptosis, cell adhesion, growth factor signaling, and intracellular protein trafficking. It mediates apoptosis in cells transformed neoplastically after DNA damage and is involved in the trafficking of several proteins such as PKN1 to endosomes and the EGF receptor from late endosomes to lysosomes. RhoB also contributes to the stability and nuclear trafficking of AKT1/AKT, which is crucial for endothelial cell survival during vascular development, and is essential for the myosin contractile ring formation during cell cycle cytokinesis.
Therapeutic significance:
Understanding the role of Rho-related GTP-binding protein RhoB could open doors to potential therapeutic strategies.