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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P61586
UPID:
RHOA_HUMAN
Alternative names:
Rho cDNA clone 12
Alternative UPACC:
P61586; P06749; Q53HM4; Q5U024; Q9UDJ0; Q9UEJ4
Background:
Transforming protein RhoA, also known as Rho cDNA clone 12, is a pivotal small GTPase cycling between active GTP-bound and inactive GDP-bound states. It plays a crucial role in cytoskeleton organization, cell migration, cell cycle, and cellular responses regulation through its interaction with various effector proteins. RhoA is instrumental in the assembly of focal adhesions, actin stress fibers, and in the formation of the myosin contractile ring during cytokinesis. It also contributes to keratinocyte cell-cell adhesion and influences cell migration and adhesion assembly through SPATA13-mediated regulation.
Therapeutic significance:
RhoA's involvement in ectodermal dysplasia with facial dysmorphism and acral, ocular, and brain anomalies highlights its potential as a therapeutic target. Understanding the role of Transforming protein RhoA could open doors to potential therapeutic strategies.