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.


We utilise our cutting-edge, exclusive workflow to develop focused 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
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, recognized alternatively as Breast epithelial mucin-associated antigen, is a specific alpha-amino acid ester hydrolase. It catalyzes the hydrolytic activation of prodrugs such as valacyclovir and valganciclovir to their active forms, like acyclovir, playing a pivotal role in detoxification processes.

THERAPEUTIC SIGNIFICANCE:
The exploration of Valacyclovir hydrolase's function offers promising pathways for drug discovery and development. Its critical role in the activation of antiviral prodrugs underscores its potential as a target for enhancing the therapeutic index of medications.

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