Focused On-demand Library for Alpha-amylase 1A

Focused On-demand Libraries - Receptor.AI 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P0DUB6

UPID:
AMY1A_HUMAN

ALTERNATIVE NAMES:
1,4-alpha-D-glucan glucanohydrolase 1; Salivary alpha-amylase

ALTERNATIVE UPACC:
P0DUB6; A6NJS5; A8K8H6; P04745; Q13763; Q5T083

BACKGROUND:
The enzyme Alpha-amylase 1A, recognized alternatively as Salivary alpha-amylase, plays a crucial role in the oral cavity by initiating the digestion of starch. It achieves this by cleaving internal alpha-D-glucosidic bonds, leading to the production of maltose, isomaltose, glucose, and various oligosaccharides. This enzymatic activity is vital for the efficient breakdown and subsequent absorption of dietary starches.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Alpha-amylase 1A offers a promising pathway to novel therapeutic approaches. Given its essential role in the digestion process, targeting this enzyme could yield breakthroughs in treating digestive inefficiencies and metabolic diseases.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 7687 of 8789