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.
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 use our state-of-the-art dedicated workflow for designing focused 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
Q6ZSZ5
UPID:
ARHGI_HUMAN
Alternative names:
114 kDa Rho-specific guanine nucleotide exchange factor; Septin-associated RhoGEF
Alternative UPACC:
Q6ZSZ5; A8MV62; B5ME81; I3L1I5; O60274; Q6DD92
Background:
Rho guanine nucleotide exchange factor 18, also known as a 114 kDa Rho-specific guanine nucleotide exchange factor or Septin-associated RhoGEF, plays a pivotal role in cellular processes. It acts as a guanine nucleotide exchange factor for RhoA GTPases, promoting actin stress fiber formation, and for RAC1, enhancing reactive oxygen species production. This protein does not influence CDC42 but is activated by G protein beta-gamma subunits, integrating effects of LPA and other GPCR agonists on cell morphology and ROS generation.
Therapeutic significance:
Rho guanine nucleotide exchange factor 18 is implicated in Retinitis pigmentosa 78, a retinal dystrophy characterized by night vision blindness and progressive loss of visual field. Understanding the role of this protein could open doors to potential therapeutic strategies for this autosomal recessive disease.