Focused On-demand Library for Neuromedin-K 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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

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

P29371

UPID:

NK3R_HUMAN

Alternative names:

NK-3 receptor; Neurokinin B receptor; Tachykinin receptor 3

Alternative UPACC:

P29371; Q0P510

Background:

The Neuromedin-K receptor, also known as NK-3 receptor or Tachykinin receptor 3, plays a pivotal role in the neuromodulation and neurotransmission processes. It primarily binds to the tachykinin neuropeptide neuromedin-K (neurokinin B), activating a phosphatidylinositol-calcium second messenger system, crucial for cellular signaling.

Therapeutic significance:

Linked to Hypogonadotropic hypogonadism 11 with or without anosmia, the Neuromedin-K receptor's understanding could pave the way for innovative treatments. This condition, characterized by delayed or absent sexual maturation, involves complex genetic factors, including mutations in the receptor's gene. Targeting this receptor could offer new therapeutic avenues for patients suffering from this disorder.