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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
A6NK44
UPID:
GLOD5_HUMAN
Alternative names:
-
Alternative UPACC:
A6NK44
Background:
Glyoxalase domain-containing protein 5 plays a crucial role in cellular metabolism and detoxification processes. Its unique enzymatic activities facilitate the breakdown of harmful metabolites, safeguarding cellular health and ensuring the smooth operation of metabolic pathways. This protein's intricate structure and function underscore its importance in maintaining cellular equilibrium.
Therapeutic significance:
Understanding the role of Glyoxalase domain-containing protein 5 could open doors to potential therapeutic strategies. Its pivotal role in detoxification and metabolism positions it as a key target for interventions aimed at enhancing cellular resilience and combating metabolic disorders.