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.


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


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 employ our advanced, specialised process to create targeted 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.


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
Q8N1F7

UPID:
NUP93_HUMAN

ALTERNATIVE NAMES:
93 kDa nucleoporin; Nucleoporin Nup93

ALTERNATIVE UPACC:
Q8N1F7; B3KPQ8; Q14705

BACKGROUND:
The Nuclear pore complex protein Nup93, known alternatively as the 93 kDa nucleoporin, is essential for the assembly and maintenance of the nuclear pore complex. It functions to secure nucleoporins to the NPC, with the exception of NUP153 and TPR. Its role extends to renal development, where it influences podocyte migration and proliferation through the activation of SMAD4 signaling.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in Nephrotic syndrome 12, characterized by severe proteinuria and progression to renal failure, Nuclear pore complex protein Nup93 presents a significant target for therapeutic intervention. Exploring the functions of Nup93 offers promising avenues for developing treatments for this genetically inherited condition.

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.