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.
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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct 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 is unique due to several crucial aspects:
partner
Reaxense
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:
Alpha-amylase 1A, also known as Salivary alpha-amylase or 1,4-alpha-D-glucan glucanohydrolase 1, is a pivotal enzyme in the initial stages of starch digestion. It operates by binding calcium and catalyzing the hydrolysis of (1->4)-alpha-D-glucosidic bonds in starch, producing maltose, isomaltose, glucose, and dextrins. This process is essential for the breakdown of complex carbohydrates into simpler sugars that can be absorbed by the body.
Therapeutic significance:
Understanding the role of Alpha-amylase 1A could open doors to potential therapeutic strategies. Its critical function in starch digestion positions it as a key target for addressing metabolic disorders and improving nutritional absorption.