Focused On-demand Library for Oxidoreductase HTATIP2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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.







Alternative names:

30 kDa HIV-1 TAT-interacting protein; HIV-1 TAT-interactive protein 2

Alternative UPACC:

Q9BUP3; A8K7S7; D3DQY8; O15383; O60520; O95345; Q53GC1; Q53GG2; Q6IBI3


Oxidoreductase HTATIP2, also known as 30 kDa HIV-1 TAT-interacting protein and HIV-1 TAT-interactive protein 2, plays a crucial role in tumor suppression. Its activity involves the inhibition of nuclear import by competing with substrates for binding to nuclear transport receptors, potentially acting as a redox sensor that regulates transcription through nuclear import control. Isoform 1 is noted for its metastasis suppression, proapoptotic, and antiangiogenic properties, while Isoform 2 exhibits an antiapoptotic effect.

Therapeutic significance:

Understanding the role of Oxidoreductase HTATIP2 could open doors to potential therapeutic strategies.

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