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 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.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q5T6J7
UPID:
GNTK_HUMAN
Alternative names:
Gluconate kinase
Alternative UPACC:
Q5T6J7; A5PLN6; Q5T6J6
Background:
Probable gluconokinase, also known as Gluconate kinase, plays a crucial role in carbohydrate metabolism by facilitating the phosphorylation of gluconate to 6-phosphogluconate. This enzymatic activity is pivotal in the pentose phosphate pathway, a metabolic pathway parallel to glycolysis, which reduces NADP+ to NADPH while generating ribose-5-phosphate for nucleotide synthesis.
Therapeutic significance:
Understanding the role of Probable gluconokinase could open doors to potential therapeutic strategies. Its involvement in the pentose phosphate pathway highlights its importance in cellular processes such as detoxification, anabolic reactions, and the maintenance of redox balance, making it a potential target for metabolic disorders.