Focused On-demand Library for 2'-5'-oligoadenylate synthase 1

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P00973

UPID:
OAS1_HUMAN

ALTERNATIVE NAMES:
E18/E16; p46/p42 OAS

ALTERNATIVE UPACC:
P00973; A8K4N8; F8VXY3; P04820; P29080; P29081; P78485; P78486; Q16700; Q16701; Q1PG42; Q3ZM01; Q53GC5; Q53YA4; Q6A1Z3; Q6IPC6; Q6P7N9; Q96J61

BACKGROUND:
2'-5'-oligoadenylate synthase 1, with aliases E18/E16 and p46/p42 OAS, is a key antiviral enzyme. It activates RNase L by synthesizing 2-5A oligomers, leading to the degradation of viral and cellular RNA, effectively inhibiting viral replication. Additionally, it plays roles in apoptosis, cell growth, differentiation, and gene regulation. Its specific targeting of SARS-CoV-2 replication through dsRNA sensing underscores its therapeutic potential.

THERAPEUTIC SIGNIFICANCE:
The involvement of 2'-5'-oligoadenylate synthase 1 in Immunodeficiency 100 suggests its therapeutic relevance. Exploring its mechanisms could unlock new therapeutic strategies for treating viral infections and associated immune complications.

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