Focused On-demand Library for Methylthioribose-1-phosphate isomerase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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 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

Q9BV20

UPID:

MTNA_HUMAN

Alternative names:

Mediator of RhoA-dependent invasion; S-methyl-5-thioribose-1-phosphate isomerase; Translation initiation factor eIF-2B subunit alpha/beta/delta-like protein

Alternative UPACC:

Q9BV20; Q8NDC9

Background:

Methylthioribose-1-phosphate isomerase, also known as Mediator of RhoA-dependent invasion, plays a crucial role in the interconversion of MTR-1-P into MTRu-1-P. This enzyme is pivotal in cellular metabolism and signaling, influencing cell invasion through FAK tyrosine phosphorylation and stress fiber turnover, independent of its catalytic activity.

Therapeutic significance:

Understanding the role of Methylthioribose-1-phosphate isomerase could open doors to potential therapeutic strategies. Its involvement in cell invasion and signaling pathways highlights its potential as a target for therapeutic intervention in diseases where these processes are dysregulated.