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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused 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
Q86WA6
UPID:
BPHL_HUMAN
Alternative names:
Biphenyl hydrolase-like protein; Biphenyl hydrolase-related protein; Breast epithelial mucin-associated antigen
Alternative UPACC:
Q86WA6; Q00306; Q13855; Q3KP51
Background:
Valacyclovir hydrolase, also known as Biphenyl hydrolase-like protein, plays a crucial role in the hydrolytic activation of amino acid ester prodrugs of nucleoside analogs, including valacyclovir and valganciclovir. This serine hydrolase activates valacyclovir to acyclovir, showcasing its specificity for small, hydrophobic, and aromatic side chains without a stringent requirement for the leaving group.
Therapeutic significance:
Understanding the role of Valacyclovir hydrolase could open doors to potential therapeutic strategies. Its ability to activate prodrugs highlights its importance in drug metabolism and detoxification processes, suggesting avenues for enhancing drug efficacy and safety.