Focused On-demand Library for Endoribonuclease Dicer

Focused On-demand Libraries - Reaxense 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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9UPY3

UPID:

DICER_HUMAN

Alternative names:

Helicase with RNase motif

Alternative UPACC:

Q9UPY3; A7E2D3; B3KRG4; E0AD28; O95943; Q9UQ02

Background:

Endoribonuclease Dicer, also known as Helicase with RNase motif, plays a pivotal role in RNA interference (RNAi) by processing double-stranded RNA (dsRNA) into short interfering RNAs (siRNAs) and microRNAs (miRNAs). These small RNAs are crucial for gene silencing, regulating gene expression by targeting mRNA for degradation or translational repression.

Therapeutic significance:

Given its central role in gene silencing, Dicer's dysfunction is implicated in various diseases, including Pleuropulmonary blastoma, Goiter multinodular 1, Rhabdomyosarcoma, and Global developmental delay with lung cysts. Understanding the role of Endoribonuclease Dicer could open doors to potential therapeutic strategies targeting these conditions.