Focused On-demand Library for Vasopressin V2 receptor

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 employ our advanced, specialised process to create targeted libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass 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

P30518

UPID:

V2R_HUMAN

Alternative names:

AVPR V2; Antidiuretic hormone receptor; Renal-type arginine vasopressin receptor

Alternative UPACC:

P30518; C5HF20; O43192; Q3MJD3; Q9UCV9

Background:

The Vasopressin V2 receptor, encoded by the gene with accession number P30518, plays a pivotal role in water homeostasis. Known alternatively as AVPR V2, Antidiuretic hormone receptor, and Renal-type arginine vasopressin receptor, it functions by binding arginine vasopressin and activating G proteins that stimulate adenylate cyclase, crucial for renal water reabsorption.

Therapeutic significance:

Mutations in the Vasopressin V2 receptor are linked to Nephrogenic syndrome of inappropriate antidiuresis and Diabetes insipidus, nephrogenic, 1, X-linked. These conditions underscore the receptor's critical role in water balance and highlight its potential as a target for therapeutic intervention in water balance disorders.