Literature summary for 2.7.1.48 extracted from

Mohamed, M.; Dirar, A.; Hamdoun, S.
Discovery of two diacetylene glycosides as human uridine-cytidine kinase 2 inhibitors An in silico approach (2016), J. Appl. Pharm. Sci., 6, 034-039 .

No PubMed abstract available

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Inhibitors

Inhibitors	Comment	Organism	Structure
bhutkesoside A	isolated from Ligusticopsis wallichiana (Apiaceae). Hydrophobic interactions are predicted for bhutkesoside A with Phe83	Homo sapiens
bhutkesoside B	isolated from Ligusticopsis wallichiana (Apiaceae). Bhutkesoside B is estimated to inhibit UCK2 protein by binding to the catalytic active site of ATP, thus inhibiting ATP from binding to its active site in the UCK2 protein. Hydrophobic interactions are predicted for bhutkesoside B with Ala30	Homo sapiens
additional information	discovery of two diacetylene glycosides as human uridine-cytidine kinase 2 inhibitors, in an in silico approach. Molecular ligand-protein docking, using uridine-cytidine kinase 2 structure PDB ID 1UDW. Druggability likeliness property of Bhutkesoside A and Bhutkesoside B as GPCR ligands, ion channel modulators (ICM), kinase inhibitors (KI), nuclear receptor ligands (NRL), protease inhibitors (PI) and enzyme inhibitors (EI) are studied, and results are retrieved as bioactivity scores, overview	Homo sapiens

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Mg2+	required	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
ATP + cytidine	Homo sapiens	-	ADP + CMP	-	?
ATP + uridine	Homo sapiens	-	ADP + UMP	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q9BZX2	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
ATP + cytidine	-	Homo sapiens	ADP + CMP	-	?
ATP + uridine	-	Homo sapiens	ADP + UMP	-	?

Synonyms

Synonyms	Comment	Organism
UCK2	-	Homo sapiens
uridine-cytidine kinase 2	-	Homo sapiens

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Release 2023.1 (January 2023)