Focused On-demand Library for Methionine-R-sulfoxide reductase B3

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.

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.

Our high-tech, dedicated method is applied to construct 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 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

Q8IXL7

UPID:

MSRB3_HUMAN

Alternative names:

Alternative UPACC:

Q8IXL7; B4DR19; B7ZAQ0; Q6UXS2

Background:

Methionine-R-sulfoxide reductase B3 plays a crucial role in cellular protection against oxidative stress by catalyzing the reduction of methionine sulfoxide to methionine. Its activity is pivotal in maintaining protein function and cellular homeostasis. Isoform 2 of this enzyme is specifically essential for auditory processes, highlighting its unique role in hearing.

Therapeutic significance:

The association of Methionine-R-sulfoxide reductase B3 with autosomal recessive deafness, specifically Deafness, autosomal recessive, 74, underscores its therapeutic potential. Targeting the pathways involving this enzyme could lead to innovative treatments for sensorineural deafness, offering hope for individuals suffering from this profound hearing loss.