Focused On-demand Library for Probable methyltransferase TARBP1

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.

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 our associate Reaxense.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q13395

UPID:

TARB1_HUMAN

Alternative names:

TAR RNA-binding protein 1; TAR RNA-binding protein of 185 kDa

Alternative UPACC:

Q13395; Q9H581

Background:

Probable methyltransferase TARBP1, also known as TAR RNA-binding protein 1, plays a crucial role in RNA methylation, specifically targeting tRNAs. This protein's interaction with HIV-1 TAR RNA, by binding to the loop region, highlights its potential in viral replication processes. The competitive binding with RNA polymerase II suggests a complex regulatory mechanism that could influence HIV-1's lifecycle.

Therapeutic significance:

Understanding the role of Probable methyltransferase TARBP1 could open doors to potential therapeutic strategies. Its involvement in RNA methylation and interaction with HIV-1 TAR RNA presents a unique target for antiviral research, offering new avenues for therapeutic intervention in HIV-1 infections.