Focused On-demand Library for Rho guanine nucleotide exchange factor 9

Focused On-demand Libraries - Reaxense Collaboration

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.

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 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 employ our advanced, specialised process to create targeted 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

O43307

UPID:

ARHG9_HUMAN

Alternative names:

Collybistin; PEM-2 homolog; Rac/Cdc42 guanine nucleotide exchange factor 9

Alternative UPACC:

O43307; A8K1S8; B4DHC7; F8W7P8; Q5JSL6

Background:

Rho guanine nucleotide exchange factor 9, also known as Collybistin, plays a pivotal role in the nervous system by acting as a guanine nucleotide exchange factor (GEF) for CDC42. This protein is instrumental in promoting the formation of GPHN clusters, which are crucial for synaptic function and plasticity.

Therapeutic significance:

The protein's involvement in Developmental and epileptic encephalopathy 8, a disorder characterized by severe neurologic features including hyperekplexia, seizures, and intellectual disability, underscores its therapeutic significance. Understanding the role of Rho guanine nucleotide exchange factor 9 could open doors to potential therapeutic strategies for this debilitating condition.