AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for GDNF family receptor alpha-1

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

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

P56159

UPID:

GFRA1_HUMAN

Alternative names:

RET ligand 1; TGF-beta-related neurotrophic factor receptor 1

Alternative UPACC:

P56159; A8KA21; O15507; O43912

Background:

GDNF family receptor alpha-1, also known as RET ligand 1 or TGF-beta-related neurotrophic factor receptor 1, plays a pivotal role in kidney and urinary tract development. It functions as a receptor for GDNF, facilitating the GDNF-induced autophosphorylation and activation of the RET receptor. This process is crucial for the proper development and function of the renal system.

Therapeutic significance:

The protein is directly linked to Renal hypodysplasia/aplasia 4, a severe congenital anomaly characterized by bilateral renal agenesis. Understanding the role of GDNF family receptor alpha-1 in this condition could pave the way for innovative therapeutic strategies aimed at mitigating or potentially curing this fatal disease.

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