Focused On-demand Library for Beta-1,4-galactosyltransferase 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O60909

UPID:

B4GT2_HUMAN

Alternative names:

Beta-N-acetylglucosaminyl-glycolipid beta-1,4-galactosyltransferase; Beta-N-acetylglucosaminylglycopeptide beta-1,4-galactosyltransferase; Lactose synthase A protein; N-acetyllactosamine synthase; Nal synthase; UDP-Gal:beta-GlcNAc beta-1,4-galactosyltransferase 2; UDP-galactose:beta-N-acetylglucosamine beta-1,4-galactosyltransferase 2

Alternative UPACC:

O60909; B3KTP0; B4DE14; D3DPY6; D3DPY7; O60511; Q4V9L9; Q5T4X5; Q5T4Y5; Q9BUP6; Q9NSY7

Background:

Beta-1,4-galactosyltransferase 2 plays a pivotal role in the synthesis of complex-type N-linked oligosaccharides found in many glycoproteins, as well as in the carbohydrate components of glycolipids. This enzyme is capable of producing lactose, highlighting its essential function in various biological processes. Known by several names, including Lactose synthase A protein and N-acetyllactosamine synthase, it underscores the enzyme's versatility in biochemical pathways.

Therapeutic significance:

Understanding the role of Beta-1,4-galactosyltransferase 2 could open doors to potential therapeutic strategies. Its involvement in the synthesis of key biological molecules places it at the heart of research into novel drug discovery and development approaches.