Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.


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
Q9UHD9

UPID:
UBQL2_HUMAN

ALTERNATIVE NAMES:
Chap1; DSK2 homolog; Protein linking IAP with cytoskeleton 2; Ubiquitin-like product Chap1/Dsk2

ALTERNATIVE UPACC:
Q9UHD9; O94798; Q5D027; Q9H3W6; Q9HAZ4

BACKGROUND:
The protein Ubiquilin-2, also referred to as Protein linking IAP with cytoskeleton 2, is integral to various protein degradation mechanisms. By binding to polyubiquitin chains and interacting with proteasome subunits, it facilitates the proteasomal targeting of proteins. Additionally, Ubiquilin-2 plays a crucial role in macroautophagy and the ERAD pathway, impacting autophagosome formation and protein degradation.

THERAPEUTIC SIGNIFICANCE:
Given Ubiquilin-2's critical role in Amyotrophic lateral sclerosis 15, with or without frontotemporal dementia, its study offers promising avenues for therapeutic intervention. The protein's function in neurodegenerative disorders opens doors to potential therapeutic strategies, making it a key target for drug discovery efforts.

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.