Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NR80
UPID:
ARHG4_HUMAN
Alternative names:
APC-stimulated guanine nucleotide exchange factor 1
Alternative UPACC:
Q9NR80; Q9HDC6; Q9UPP0
Background:
Rho guanine nucleotide exchange factor 4 (RhoGEF4), also known as APC-stimulated guanine nucleotide exchange factor 1, plays a pivotal role in cellular processes by acting as a guanine nucleotide exchange factor for RHOA, RAC1, and CDC42 GTPases. Its interaction with APC influences RAC1 GEF activity, contributing to cell migration and E-cadherin-mediated cell-cell adhesion. RhoGEF4 is essential for MMP9 up-regulation through the JNK signaling pathway in colorectal tumor cells and is implicated in tumor angiogenesis, intestinal adenoma formation, and tumor progression.
Therapeutic significance:
Understanding the role of Rho guanine nucleotide exchange factor 4 could open doors to potential therapeutic strategies.