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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9BUJ0
UPID:
ABHEA_HUMAN
Alternative names:
Alpha/beta hydrolase domain-containing protein 14A
Alternative UPACC:
Q9BUJ0; Q6UXU8; Q9Y3T7
Background:
Protein ABHD14A, also known as Alpha/beta hydrolase domain-containing protein 14A, plays a crucial role in granule neuron development. This protein's unique structure and function position it as a key player in the neurological development process.
Therapeutic significance:
Understanding the role of Protein ABHD14A could open doors to potential therapeutic strategies. Its involvement in granule neuron development suggests a significant impact on neurological health and disease.