Focused On-demand Library for Leptin 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.

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential 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

P48357

UPID:

LEPR_HUMAN

Alternative names:

HuB219; OB receptor

Alternative UPACC:

P48357; Q13592; Q13593; Q13594; Q92919; Q92920; Q92921

Background:

The Leptin receptor, known alternatively as HuB219 or OB receptor, plays a pivotal role in energy homeostasis and metabolism. It acts as a receptor for the hormone leptin, mediating its effects through various signaling pathways, including JAK2/STAT3 and MAPK cascade/FOS. This receptor is crucial in regulating appetite, energy consumption, bone mass, reproductive function, and immune responses. It also has a specific effect on T lymphocyte responses, differentially regulating the proliferation of naive and memory T-cells.

Therapeutic significance:

Leptin receptor deficiency, a rare disease characterized by severe obesity and immune alterations, is directly linked to mutations in the gene encoding this receptor. Understanding the leptin receptor's role could pave the way for innovative treatments targeting metabolic disorders and obesity.