AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for von Hippel-Lindau disease tumor suppressor

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

P40337

UPID:

VHL_HUMAN

Alternative names:

Protein G7; pVHL

Alternative UPACC:

P40337; B2RE45; Q13599; Q6PDA9

Background:

The von Hippel-Lindau disease tumor suppressor, also known as Protein G7 or pVHL, plays a crucial role in the ubiquitination and proteasomal degradation pathway. It is part of the von Hippel-Lindau ubiquitination complex, targeting hydroxylated hypoxia-inducible factors (HIF) under normoxic conditions for degradation. pVHL is also involved in transcriptional repression through its interaction with HIF1A, HIF1AN, and histone deacetylases, and regulates mTORC1 activity by promoting the ubiquitination and degradation of RPTOR.

Therapeutic significance:

Given its pivotal role in regulating hypoxia-inducible factors and mTORC1 signaling, pVHL has significant therapeutic implications in diseases like Pheochromocytoma, von Hippel-Lindau disease, familial Erythrocytosis, and Renal cell carcinoma. Understanding the role of pVHL could open doors to potential therapeutic strategies, especially in targeting these diseases at the molecular level.

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