Focused On-demand Library for UbiA prenyltransferase domain-containing protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 use our state-of-the-art dedicated workflow for designing 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 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

Q9Y5Z9

UPID:

UBIA1_HUMAN

Alternative names:

Transitional epithelial response protein 1

Alternative UPACC:

Q9Y5Z9; B3KQG3; Q53GX3; Q5THD4

Background:

UbiA prenyltransferase domain-containing protein 1, also known as Transitional epithelial response protein 1, plays a crucial role in the biosynthesis of menaquinone-4 (MK-4) and coenzyme Q10. These molecules are essential for endothelial cell development and cardiovascular health, acting as potent antioxidants. The protein facilitates the conversion of phylloquinone into MK-4, highlighting its significance in cellular metabolism and protection against oxidative stress.

Therapeutic significance:

The association of UbiA prenyltransferase domain-containing protein 1 with Schnyder type corneal dystrophy underscores its clinical relevance. Understanding the role of this protein could open doors to potential therapeutic strategies for treating corneal dystrophies and cardiovascular diseases by targeting its biosynthetic pathways.