Focused On-demand Library for Alpha-amylase 2B

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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

P19961

UPID:

AMY2B_HUMAN

Alternative names:

1,4-alpha-D-glucan glucanohydrolase 2B; Carcinoid alpha-amylase

Alternative UPACC:

P19961; B3KTI1; B3KXB7; D3DT76; Q9UBH3

Background:

Alpha-amylase 2B, also known as 1,4-alpha-D-glucan glucanohydrolase 2B and Carcinoid alpha-amylase, plays a crucial role in the breakdown of starch into sugars. This enzyme is pivotal in the digestive process, facilitating the conversion of complex carbohydrates into simple sugars that can be absorbed by the body.

Therapeutic significance:

Understanding the role of Alpha-amylase 2B could open doors to potential therapeutic strategies. Its critical function in carbohydrate metabolism makes it a potential target for addressing metabolic disorders and improving digestive health.