Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
O00267

UPID:
SPT5H_HUMAN

ALTERNATIVE NAMES:
DRB sensitivity-inducing factor 160 kDa subunit; DRB sensitivity-inducing factor large subunit; Tat-cotransactivator 1 protein

ALTERNATIVE UPACC:
O00267; O43279; Q59G52; Q99639

BACKGROUND:
The protein Transcription elongation factor SPT5, known for its roles in regulating mRNA processing and transcription elongation, is essential for the efficient activation of transcriptional elongation by the HIV-1 nuclear transcriptional activator, Tat. As part of the DSIF complex, it positively regulates mRNA capping and cooperates with the NELF complex to enhance transcriptional pausing, a key step in the formation of an elongation competent RNA polymerase II complex.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Transcription elongation factor SPT5 offers a promising avenue for the development of novel therapeutic approaches. Its critical role in transcriptional elongation and mRNA processing makes it a potential target for treating conditions associated with transcriptional dysregulation.

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