Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q9Y6A1

UPID:
POMT1_HUMAN

ALTERNATIVE NAMES:
Dolichyl-phosphate-mannose--protein mannosyltransferase 1

ALTERNATIVE UPACC:
Q9Y6A1; B3KQG0; B4DIF0; Q5JT01; Q5JT06; Q5JT08; Q8NC91; Q8TCA9; Q9NX32; Q9NX82; Q9UNT2

BACKGROUND:
The enzyme Protein O-mannosyl-transferase 1, alternatively named Dolichyl-phosphate-mannose--protein mannosyltransferase 1, is essential for the mannosylation of proteins, specifically alpha-DAG1. Its activity is contingent upon the presence of both POMT1 and POMT2, underscoring its selective function in protein modification.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in severe disorders such as congenital muscular dystrophy-dystroglycanopathy with brain and eye anomalies, the study of Protein O-mannosyl-transferase 1 offers a promising avenue for the development of targeted therapies aimed at mitigating the impact of these genetic diseases.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.