Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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
Receptor.AI
 
UPACC
Q15650

UPID:
TRIP4_HUMAN

ALTERNATIVE NAMES:
Thyroid receptor-interacting protein 4

ALTERNATIVE UPACC:
Q15650; B2RAS0; Q96ED7; Q9UKH0

BACKGROUND:
The protein Activating signal cointegrator 1, known alternatively as Thyroid receptor-interacting protein 4, is integral to facilitating nuclear receptor-mediated transcription. It interacts with various transcriptional coactivators and basal transcription factors to support thyroid hormone, estrogen, and androgen receptor transactivation. Its functions extend to influencing NF-kappa-B, SRF, and AP1 transactivation, playing roles in neuromuscular junction development and myogenic differentiation.

THERAPEUTIC SIGNIFICANCE:
Given its association with critical neuromuscular diseases such as Spinal muscular atrophy with congenital bone fractures 1 and Muscular dystrophy, congenital, Davignon-Chauveau type, exploring the functions of Activating signal cointegrator 1 offers promising avenues for therapeutic intervention.

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