AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Vasopressin V2 receptor

Available from Reaxense
Predicted by Alphafold

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.

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