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.


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 use our state-of-the-art dedicated workflow for designing 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 distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P52294

UPID:
IMA5_HUMAN

ALTERNATIVE NAMES:
Karyopherin subunit alpha-1; Nucleoprotein interactor 1; RAG cohort protein 2; SRP1-beta

ALTERNATIVE UPACC:
P52294; D3DN93; Q6IBQ9; Q9BQ56

BACKGROUND:
The protein Importin subunit alpha-5, known alternatively as Nucleoprotein interactor 1, is integral to the nuclear import mechanism. It specifically recognizes and binds substrates containing NLS motifs, facilitating their docking at the nuclear pore complex via KPNB1. This interaction is crucial for the energy-dependent translocation of complexes into the nucleus, a process that is tightly regulated by the Ran GTPase cycle. Importin subunit alpha-5's ability to mediate the nuclear import of specific proteins, including viral proteins like human cytomegalovirus UL84, highlights its significance in cellular function.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Importin subunit alpha-5 could open doors to potential therapeutic strategies.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.