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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6ZS86
UPID:
GLPK5_HUMAN
Alternative names:
ATP:glycerol 3-phosphotransferase 5
Alternative UPACC:
Q6ZS86; B2R9I2; D3DNG2; Q8N2A7; Q8N5E6
Background:
Putative glycerol kinase 5, also known as ATP:glycerol 3-phosphotransferase 5, plays a crucial role in the metabolism of glycerol, a key intermediate in the cellular energy balance. This enzyme's activity is pivotal for the conversion of glycerol into glycerol-3-phosphate, a fundamental step in lipid biosynthesis and energy production pathways.
Therapeutic significance:
Understanding the role of Putative glycerol kinase 5 could open doors to potential therapeutic strategies. Its involvement in crucial metabolic pathways highlights its potential as a target for metabolic disorders treatment, offering a promising avenue for drug discovery and development.