Focused On-demand Library for GTP-binding protein Rhes

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96D21

UPID:

RHES_HUMAN

Alternative names:

Ras homolog enriched in striatum; Tumor endothelial marker 2

Alternative UPACC:

Q96D21; O95520; Q5THY8

Background:

The GTP-binding protein Rhes, also known as Ras homolog enriched in striatum and Tumor endothelial marker 2, plays a pivotal role in GTPase signaling. It binds to and hydrolyzes GTP, regulating pathways involving G-proteins-coupled receptor and heterotrimeric proteins such as GNB1, GNB2, and GNB3. Its involvement in striatal competencies, particularly in locomotor activity and motor coordination, highlights its significance in neurological functions.

Therapeutic significance:

Understanding the role of GTP-binding protein Rhes could open doors to potential therapeutic strategies. Its critical function in signaling pathways and neurological activities suggests that targeting this protein could offer novel approaches for treating disorders related to its signaling mechanisms.