Focused On-demand Library for KiSS-1 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.

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.

We use our state-of-the-art dedicated workflow for designing focused 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q969F8

UPID:

KISSR_HUMAN

Alternative names:

G-protein coupled receptor 54; G-protein coupled receptor OT7T175; Hypogonadotropin-1; Kisspeptins receptor; Metastin receptor

Alternative UPACC:

Q969F8; A5D8U2; B2RTV1; Q96QG0

Background:

The KiSS-1 receptor, also known as G-protein coupled receptor 54, plays a crucial role in the suppression of metastases in malignant melanomas and some breast carcinomas. It functions as a receptor for kisspeptin-54, which is essential for normal gonadotropin-releasing hormone physiology and puberty. The receptor's involvement in the central regulation of the gonadotropic axis is pivotal for reproductive health.

Therapeutic significance:

Given its critical role in reproductive health, the KiSS-1 receptor is linked to diseases such as Hypogonadotropic hypogonadism 8 with or without anosmia and central Precocious puberty. Targeting this receptor could offer novel therapeutic strategies for treating these reproductive disorders.