Focused On-demand Library for D(1B) dopamine receptor

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.

Our high-tech, dedicated method is applied to construct targeted libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.

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

P21918

UPID:

DRD5_HUMAN

Alternative names:

D(5) dopamine receptor; D1beta dopamine receptor; Dopamine D5 receptor

Alternative UPACC:

P21918; B2R9S3; Q8NEQ8

Background:

The D(1B) dopamine receptor, also known as the D5 dopamine receptor, plays a crucial role in the central nervous system. Its activity is mediated by G proteins which activate adenylyl cyclase, a pivotal step in the signaling pathways that regulate a wide range of physiological processes. Alternative names for this protein include D(5) dopamine receptor and D1beta dopamine receptor, highlighting its significance in dopamine signaling.

Therapeutic significance:

Benign essential blepharospasm (BEB), a primary focal dystonia affecting the orbicularis oculi muscles, is associated with variants affecting the D(1B) dopamine receptor gene. Understanding the role of the D(1B) dopamine receptor could open doors to potential therapeutic strategies for managing BEB, which can lead to functional blindness in severe cases.