AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Leptin 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.

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.

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