AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein argonaute-2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our partner 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Reaxense

upacc

Q9UKV8

UPID:

AGO2_HUMAN

Alternative names:

Argonaute RISC catalytic component 2; Eukaryotic translation initiation factor 2C 2; PAZ Piwi domain protein; Protein slicer

Alternative UPACC:

Q9UKV8; Q8TCZ5; Q8WV58; Q96ID1

Background:

Protein argonaute-2, also known as Argonaute RISC catalytic component 2, plays a pivotal role in RNA-mediated gene silencing, including RNA interference (RNAi) and microRNA (miRNA) pathways. It is essential for the RNA-induced silencing complex (RISC), guiding RISC to target mRNAs for silencing or degradation. This protein's ability to interact with small RNAs and its involvement in translational repression and mRNA cleavage underscore its critical function in gene regulation.

Therapeutic significance:

The association of Protein argonaute-2 with Lessel-Kreienkamp syndrome, a disorder marked by developmental delays and behavioral disorders, highlights its potential as a therapeutic target. Understanding the role of Protein argonaute-2 could open doors to potential therapeutic strategies for treating this syndrome and possibly other related conditions.

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