Focused On-demand Library for Polyribonucleotide 5'-hydroxyl-kinase Clp1

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.

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 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 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

Q92989

UPID:

CLP1_HUMAN

Alternative names:

Polyadenylation factor Clp1; Polynucleotide kinase Clp1; Pre-mRNA cleavage complex II protein Clp1

Alternative UPACC:

Q92989; B2R7J6; B4DTI8

Background:

Polyribonucleotide 5'-hydroxyl-kinase Clp1, also known as Polyadenylation factor Clp1 and Polynucleotide kinase Clp1, is a versatile enzyme with pivotal roles in RNA and DNA processing. It efficiently phosphorylates the 5'-hydroxyl groups of RNA and DNA, playing a crucial role in tRNA splicing, mRNA 3'-end formation, and the activation of short interfering RNAs (siRNAs) for RNA-induced silencing. Its activity is essential for cerebellar development and proper brain function.

Therapeutic significance:

Given its critical role in tRNA splicing and mRNA processing, Polyribonucleotide 5'-hydroxyl-kinase Clp1's dysfunction is linked to Pontocerebellar hypoplasia 10, a severe neurodegenerative disorder. Understanding the role of this protein could open doors to potential therapeutic strategies for treating or managing this debilitating condition.