Focused On-demand Library for Alpha-amylase 1B

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

P0DTE7

UPID:

AMY1B_HUMAN

Alternative names:

Alternative UPACC:

P0DTE7; A6NJS5; A8K8H6; P04745; Q13763; Q5T083

Background:

Alpha-amylase 1B is a pivotal enzyme in the digestive process, primarily responsible for the breakdown of starch into sugars in the oral cavity. This enzyme facilitates the hydrolysis of (1->4)-alpha-D-glucosidic bonds in starch, producing maltose, isomaltose, glucose, and dextrins. Its activity is crucial for the initial steps of carbohydrate digestion, preparing these molecules for further breakdown in the gastrointestinal tract.

Therapeutic significance:

Understanding the role of Alpha-amylase 1B could open doors to potential therapeutic strategies. Its fundamental role in starch digestion positions it as a key target for addressing digestive disorders and improving nutritional absorption. Further research into Alpha-amylase 1B may reveal novel approaches to modulate its activity, offering new avenues for the treatment of metabolic diseases.