Focused On-demand Library for Procollagen-lysine,2-oxoglutarate 5-dioxygenase 2

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.

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 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 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

O00469

UPID:

PLOD2_HUMAN

Alternative names:

Lysyl hydroxylase 2

Alternative UPACC:

O00469; B3KWS3; Q59ED2; Q8N170

Background:

Procollagen-lysine,2-oxoglutarate 5-dioxygenase 2, also known as Lysyl hydroxylase 2, plays a crucial role in collagen synthesis. It is responsible for the formation of hydroxylysine residues in -Xaa-Lys-Gly- sequences in collagens, which are pivotal for the stability of intermolecular collagen cross-links and the attachment of carbohydrate units.

Therapeutic significance:

The protein's malfunction is linked to Bruck syndrome 2, a disease characterized by osteopenia, congenital joint contractures, and fragile bones. Understanding the role of Procollagen-lysine,2-oxoglutarate 5-dioxygenase 2 could open doors to potential therapeutic strategies for treating or managing this condition.