AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Transcriptional enhancer factor TEF-1

Available from Reaxense
Predicted by Alphafold

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.

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.

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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

P28347

UPID:

TEAD1_HUMAN

Alternative names:

NTEF-1; Protein GT-IIC; TEA domain family member 1; Transcription factor 13

Alternative UPACC:

P28347; A4FUP2; E7EV65

Background:

Transcriptional enhancer factor TEF-1, also known as NTEF-1, Protein GT-IIC, and TEA domain family member 1, is a pivotal transcription factor in the Hippo signaling pathway. This pathway is crucial for organ size control and tumor suppression, functioning through a kinase cascade that ultimately inhibits YAP1 oncoprotein and WWTR1/TAZ, thereby regulating cell proliferation, migration, and epithelial-mesenchymal transition (EMT). TEF-1 binds specifically to enhansons, activating transcription in a cell-specific manner and playing a significant role in cardiac development.

Therapeutic significance:

TEF-1's involvement in Sveinsson chorioretinal atrophy, characterized by symmetrical lesions radiating from the optic disk, underscores its potential as a target for therapeutic intervention. Understanding the role of TEF-1 could open doors to potential therapeutic strategies.

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