Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q16774
UPID:
KGUA_HUMAN
Alternative names:
GMP kinase; Guanylate kinase 1
Alternative UPACC:
Q16774; B1ANH1
Background:
Guanylate kinase, also known as GMP kinase and Guanylate kinase 1, plays a pivotal role in nucleotide metabolism by catalyzing the phosphorylation of GMP to GDP. This enzyme is crucial for the recycling of GMP and, indirectly, cGMP, highlighting its importance in photoreceptor cGMP metabolism. Its involvement extends to tumor growth progression, underscoring its biological significance.
Therapeutic significance:
Understanding the role of Guanylate kinase could open doors to potential therapeutic strategies. Its essential function in converting prodrugs into their active metabolites, including cancer and viral infection treatments like acyclovir and ganciclovir, positions it as a key target in drug discovery efforts.