AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Transcriptional enhancer factor TEF-5

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Q99594

UPID:

TEAD3_HUMAN

Alternative names:

DTEF-1; TEA domain family member 3

Alternative UPACC:

Q99594; O95910; Q5BJG7; Q8N6Y4

Background:

Transcriptional enhancer factor TEF-5, also known as DTEF-1 and TEA domain family member 3, is pivotal in the Hippo signaling pathway. This pathway is crucial for organ size control and tumor suppression, functioning through a kinase cascade that ultimately phosphorylates and inactivates YAP1 oncoprotein and WWTR1/TAZ. TEF-5 mediates gene expression of YAP1 and WWTR1/TAZ, influencing cell proliferation, migration, and epithelial mesenchymal transition (EMT) induction.

Therapeutic significance:

Understanding the role of Transcriptional enhancer factor TEF-5 could open doors to potential therapeutic strategies.

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