AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Homeobox protein TGIF1

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused 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 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

Q15583

UPID:

TGIF1_HUMAN

Alternative names:

5'-TG-3'-interacting factor 1

Alternative UPACC:

Q15583; A6NE42; A6NLU7; F8VZB6; Q6ICR0; Q8N5X9; Q9NRS0

Background:

Homeobox protein TGIF1, also known as 5'-TG-3'-interacting factor 1, plays a pivotal role in brain development by ensuring the correct separation of the forebrain into right and left hemispheres. It functions by binding to retinoid X receptor responsive elements and acting as a transcriptional corepressor of SMAD2, thereby influencing the nodal signaling pathway crucial for forebrain bifurcation and ventral midline structure formation.

Therapeutic significance:

Given its involvement in Holoprosencephaly 4, a genetic disorder characterized by the failure of the forebrain to properly divide, TGIF1 represents a significant target for therapeutic intervention. Understanding the role of Homeobox protein TGIF1 could open doors to potential therapeutic strategies aimed at correcting or mitigating the developmental anomalies associated with this condition.

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