Focused On-demand Library for rRNA 2'-O-methyltransferase fibrillarin

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.

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 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

P22087

UPID:

FBRL_HUMAN

Alternative names:

34 kDa nucleolar scleroderma antigen; Histone-glutamine methyltransferase; U6 snRNA 2'-O-methyltransferase fibrillarin

Alternative UPACC:

P22087; B5BUE8; O75259; Q6IAT5; Q9UPI6

Background:

rRNA 2'-O-methyltransferase fibrillarin, also known as the 34 kDa nucleolar scleroderma antigen, plays a pivotal role in cellular function through its S-adenosyl-L-methionine-dependent methyltransferase activity. It is capable of methylating RNAs and proteins, crucial for pre-rRNA processing and mRNA splicing fidelity. Its unique ability to catalyze site-specific 2'-hydroxyl methylation of ribose moieties in pre-ribosomal RNA, guided by RNA base pairing, underscores its significance in ribosomal biogenesis.

Therapeutic significance:

Understanding the role of rRNA 2'-O-methyltransferase fibrillarin could open doors to potential therapeutic strategies.