Focused On-demand Library for Ribosomal RNA small subunit methyltransferase NEP1

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q92979

UPID:

NEP1_HUMAN

Alternative names:

18S rRNA (pseudouridine(1248)-N1)-methyltransferase; 18S rRNA Psi1248 methyltransferase; Nucleolar protein EMG1 homolog; Protein C2f; Ribosome biogenesis protein NEP1

Alternative UPACC:

Q92979; O00675; O00726

Background:

Ribosomal RNA small subunit methyltransferase NEP1, also known as 18S rRNA Psi1248 methyltransferase, plays a pivotal role in ribosome biogenesis. It is a S-adenosyl-L-methionine-dependent enzyme that specifically methylates pseudouridine at position 1248 in 18S rRNA, a modification crucial for the production of the hypermodified N1-methyl-N3-(3-amino-3-carboxypropyl) pseudouridine. This protein is integral to the small subunit (SSU) processome, facilitating the assembly of ribosomal protein S19 and ensuring the proper formation of pre-ribosomes.

Therapeutic significance:

The association of Ribosomal RNA small subunit methyltransferase NEP1 with Bowen-Conradi syndrome, a condition marked by severe developmental anomalies and early infant mortality, underscores its clinical importance. Understanding the role of this protein could open doors to potential therapeutic strategies aimed at mitigating the effects of this syndrome.