Focused On-demand Library for Guanine nucleotide-binding protein G(q) subunit alpha

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.

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

P50148

UPID:

GNAQ_HUMAN

Alternative names:

Guanine nucleotide-binding protein alpha-q

Alternative UPACC:

P50148; O15108; Q13462; Q6NT27; Q92471; Q9BZB9

Background:

The Guanine nucleotide-binding protein G(q) subunit alpha, also known as Guanine nucleotide-binding protein alpha-q, plays a pivotal role in various transmembrane signaling systems. It is essential for platelet activation, B-cell selection and survival, and heart development. This protein also mediates chemotaxis and transduces signals in response to long-chain fatty acids.

Therapeutic significance:

Guanine nucleotide-binding protein G(q) subunit alpha is implicated in Capillary malformations, congenital, and Sturge-Weber syndrome. Understanding its role could lead to novel therapeutic strategies for these vascular malformations and associated neurological conditions.