Focused On-demand Library for Ribonuclease pancreatic

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P07998

UPID:

RNAS1_HUMAN

Alternative names:

HP-RNase; RIB-1; RNase UpI-1; Ribonuclease 1; Ribonuclease A

Alternative UPACC:

P07998; B2R589; D3DS06; Q16830; Q16869; Q1KHR2; Q6ICS5; Q9UCB4; Q9UCB5

Background:

Ribonuclease pancreatic, known by alternative names such as HP-RNase and Ribonuclease A, plays a crucial role in RNA metabolism. It catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides, impacting both single-stranded and double-stranded RNA. This enzyme's activity is essential for the processing and maturation of RNA, a fundamental process in cellular biology.

Therapeutic significance:

Understanding the role of Ribonuclease pancreatic could open doors to potential therapeutic strategies. Its ability to target RNA molecules offers a promising avenue for the development of novel treatments, particularly in diseases where RNA processing is compromised.