Focused On-demand Library for Mineralocorticoid receptor

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 high-tech, dedicated method is applied to construct 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.

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

P08235

UPID:

MCR_HUMAN

Alternative names:

Nuclear receptor subfamily 3 group C member 2

Alternative UPACC:

P08235; B0ZBF5; B0ZBF7; Q2NKL1; Q96KQ8; Q96KQ9

Background:

The Mineralocorticoid Receptor, identified by the accession number P08235, plays a pivotal role in fluid and electrolyte balance. It functions as a receptor for mineralocorticoids like aldosterone and glucocorticoids such as cortisol, facilitating the regulation of ion and water transport. This receptor's activity is crucial for maintaining blood pressure and potassium levels.

Therapeutic significance:

Dysfunction of the Mineralocorticoid Receptor is linked to Pseudohypoaldosteronism 1, autosomal dominant, characterized by neonatal renal salt wasting, and Early-onset hypertension with severe exacerbation in pregnancy. Targeting this receptor could offer novel therapeutic avenues for these conditions.