Focused On-demand Library for Guanine nucleotide-binding protein subunit beta-4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct 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

Q9HAV0

UPID:

GBB4_HUMAN

Alternative names:

Transducin beta chain 4

Alternative UPACC:

Q9HAV0; B3KMH5; D3DNR8

Background:

Guanine nucleotide-binding protein subunit beta-4, also known as Transducin beta chain 4, plays a pivotal role in transmembrane signaling systems. It functions as a modulator or transducer, facilitating the GTPase activity, GDP to GTP replacement, and G protein-effector interaction. This protein's involvement in cellular communication underscores its importance in maintaining physiological balance.

Therapeutic significance:

The protein is linked to Charcot-Marie-Tooth disease, dominant intermediate F, a peripheral nervous system disorder characterized by muscle atrophy and weakness. Understanding the role of Guanine nucleotide-binding protein subunit beta-4 in this condition could pave the way for innovative therapeutic strategies targeting the molecular mechanisms underlying the disease.