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.
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.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q96SE0
UPID:
ABHD1_HUMAN
Alternative names:
Alpha/beta hydrolase domain-containing protein 1; Lung alpha/beta hydrolase 1
Alternative UPACC:
Q96SE0; B3KSF6; E9PDR9; Q05BY3; Q53SZ1; Q8IXQ7
Background:
Protein ABHD1, known as Alpha/beta hydrolase domain-containing protein 1 or Lung alpha/beta hydrolase 1, plays a crucial role in cellular processes. Its unique structure, characterized by the alpha/beta hydrolase domain, suggests a significant function in metabolic pathways. The exploration of ABHD1's enzymatic activities and substrate specificities is an active area of research, highlighting its potential in biochemical regulation.
Therapeutic significance:
Understanding the role of Protein ABHD1 could open doors to potential therapeutic strategies. While its direct involvement in diseases is yet to be established, the protein's enzymatic functions suggest its potential impact on metabolic disorders. Investigating ABHD1 further could unveil novel targets for drug development, offering new avenues for treating metabolic-related conditions.