Focused On-demand Library for U5 small nuclear ribonucleoprotein 200 kDa helicase

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O75643

UPID:

U520_HUMAN

Alternative names:

Activating signal cointegrator 1 complex subunit 3-like 1; BRR2 homolog; U5 snRNP-specific 200 kDa protein

Alternative UPACC:

O75643; O94884; Q6NZY0; Q6PX59; Q8NBE6; Q96IF2; Q9H7S0

Background:

The U5 small nuclear ribonucleoprotein 200 kDa helicase, also known as Activating signal cointegrator 1 complex subunit 3-like 1, BRR2 homolog, and U5 snRNP-specific 200 kDa protein, plays a pivotal role in pre-mRNA splicing. It catalyzes the ATP-dependent unwinding of U4/U6 RNA duplexes, a crucial step in spliceosome assembly, activation, and disassembly. This protein is a core component of precatalytic, catalytic, and postcatalytic spliceosomal complexes, involved in the dynamic network of RNA-RNA interactions.

Therapeutic significance:

Given its essential role in pre-mRNA splicing and association with Retinitis pigmentosa 33, understanding the function of U5 small nuclear ribonucleoprotein 200 kDa helicase could unveil novel therapeutic strategies for treating this retinal dystrophy. Targeting the spliceosomal machinery offers a promising avenue for drug discovery in genetic disorders.