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.


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.


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 screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


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
Q96PM5

UPID:
ZN363_HUMAN

ALTERNATIVE NAMES:
Androgen receptor N-terminal-interacting protein; CH-rich-interacting match with PLAG1; E3 ubiquitin-protein ligase Pirh2; RING finger protein 199; RING-type E3 ubiquitin transferase RCHY1; Zinc finger protein 363; p53-induced RING-H2 protein

ALTERNATIVE UPACC:
Q96PM5; B3KRG3; C7E541; C7E542; C7E543; D3YRV2; E7EMC8; E7ETW5; J3KPI0; Q2KN33; Q59GN7; Q86X26; Q96PR5

BACKGROUND:
The protein RCHY1, with alternative names such as E3 ubiquitin-protein ligase Pirh2 and p53-induced RING-H2 protein, is integral to the ubiquitination mechanism. By mediating the degradation of proteins like p53/TP53, it serves as a crucial regulator of cell proliferation and apoptosis. Its function in monoubiquitinating the translesion DNA polymerase POLH and involvement in stalled ribosome quality control underscore its versatility in cellular regulation.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of RCHY1 offers a promising avenue for drug discovery. Given its central role in protein ubiquitination and cell cycle control, targeting RCHY1 could lead to innovative treatments for conditions characterized by abnormal protein accumulation or cell growth.

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