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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 high-tech, dedicated method is applied to construct targeted 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9H477
UPID:
RBSK_HUMAN
Alternative names:
-
Alternative UPACC:
Q9H477; A9UK04; B4DV96
Background:
Ribokinase plays a pivotal role in cellular metabolism by catalyzing the phosphorylation of ribose at O-5, a crucial step in the synthesis of nucleotides, histidine, and tryptophan. This enzyme's activity is essential for the pentose phosphate pathway, highlighting its significance in energy production and cellular growth.
Therapeutic significance:
Understanding the role of Ribokinase could open doors to potential therapeutic strategies. Its central function in metabolic processes positions it as a key target for research aimed at addressing metabolic disorders and enhancing cellular energy regulation.