Focused On-demand Library for Endoribonuclease Dicer

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages 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.