Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q14410
UPID:
GLPK2_HUMAN
Alternative names:
ATP:glycerol 3-phosphotransferase 2; Glycerol kinase, testis specific 2
Alternative UPACC:
Q14410; A8K876; Q6PD73; Q86XV8
Background:
Glycerol kinase 2, also known as ATP:glycerol 3-phosphotransferase 2, plays a pivotal role in glycerol metabolism and is crucial for male fertility. It is specifically involved in sperm mitochondrial sheath formation, indicating its essential role during spermatogenesis. This enzyme facilitates the proper arrangement of crescent-like mitochondria, a process underscored by its ability to induce mitochondrial clustering in conjunction with PLD6 and enhanced phosphatidic acid synthesis.
Therapeutic significance:
Understanding the role of Glycerol kinase 2 could open doors to potential therapeutic strategies.