Literature summary for 2.4.1.1 extracted from

Parmenopoulou, V.; Kantsadi, A.L.; Tsirkone, V.G.; Chatzileontiadou, D.S.; Manta, S.; Zographos, S.E.; Molfeta, C.; Archontis, G.; Agius, L.; Hayes, J.M.; Leonidas, D.D.; Komiotis, D.
Structure based inhibitor design targeting glycogen phosphorylase B. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-D-glucopyranosylamines (2014), Bioorg. Med. Chem., 22, 4810-4825.

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Application

Application	Comment	Organism
drug development	the enzyme is an important target for is a validated target for the development of type 2 diabetes treatments and the discovery of hypoglycaemic agents, both synthetic and natural	Oryctolagus cuniculus
drug development	the enzyme is an important target for is a validated target for the development of type 2 diabetes treatments and the discovery of hypoglycaemic agents, both synthetic and natural	Rattus norvegicus

Crystallization (Commentary)

Crystallization (Comment)	Organism
purified native muscle enzyme, soaking of crystals in a 5 mM inhibitor solution in 10 mM sodium N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonate, pH 6.7, containing 0.1 mM EDTA, and 0.02% w/v sodium azide at room temperature for 2 h prior to data collection, X-ray diffraction structure determination and analysis at 1.85-2.15 A resolution	Oryctolagus cuniculus

Inhibitors

Inhibitors	Comment	Organism	Structure
additional information	structure-based inhibitor design targeting glycogen phosphorylase b, virtual screening, synthesis, biochemical and biological assessment of N-acyl-beta-D-glucopyranosylamines, overview. In silico screening of 1888 N-acyl-beta-D-glucopyranosylamines putative enzyme inhibitors differing only in their R groups. Docking study for ligand binding affinities of the active sites and selection of six compounds and analysis of the inhibitory potency both in vitro and ex vivo	Oryctolagus cuniculus
additional information	structure-based inhibitor design targeting glycogen phosphorylase b, virtual screening, synthesis, biochemical and biological assessment of N-acyl-beta-D-glucopyranosylamines, overview. Determination of the effects of the enzyme inhibitors on conversion of glycogen phosphorylase a to b	Rattus norvegicus
N-[(2E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoyl]-beta-D-glucopyranosylamine	-	Oryctolagus cuniculus
N-[(2E)-3-(naphthalen-2-yl)prop-2-enoyl]-beta-D-glucopyranosylamine	-	Oryctolagus cuniculus
N-[(2E)-3-([1,1'-biphenyl]-4-yl)prop-2-enoyl]-beta-D-glucopyranosylamine	-	Oryctolagus cuniculus
N-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl]-beta-D-glucopyranosylamine	-	Oryctolagus cuniculus
N-[(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl]-beta-D-glucopyranosylamine	-	Oryctolagus cuniculus
N-[(3S)-3-(4-ethylphenyl)butanoyl]-beta-D-glucopyranosylamine	-	Oryctolagus cuniculus
N-[[([1,1'-biphenyl]-4-yl)oxy]acetyl]-beta-D-glucopyranosylamine	-	Oryctolagus cuniculus

Organism

Organism	UniProt	Comment	Textmining
Oryctolagus cuniculus	P00489	-	-
Rattus norvegicus	P09811	-	-
Rattus norvegicus Wistar	P09811	-	-

Purification (Commentary)

Purification (Comment)	Organism
native enzyme from skeletal muscle	Oryctolagus cuniculus

Source Tissue

Source Tissue	Comment	Organism	Textmining
hepatocyte	-	Rattus norvegicus	-
skeletal muscle	-	Oryctolagus cuniculus	-

Synonyms

Synonyms	Comment	Organism
glycogen phosphorylase b	-	Oryctolagus cuniculus
glycogen phosphorylase b	-	Rattus norvegicus
GPb	-	Oryctolagus cuniculus

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0035	-	N-[(2E)-3-(naphthalen-2-yl)prop-2-enoyl]-beta-D-glucopyranosylamine	pH and temperature not specified in the publication	Oryctolagus cuniculus
0.00498	-	N-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl]-beta-D-glucopyranosylamine	pH and temperature not specified in the publication	Oryctolagus cuniculus
0.00514	-	N-[(2E)-3-([1,1'-biphenyl]-4-yl)prop-2-enoyl]-beta-D-glucopyranosylamine	pH and temperature not specified in the publication	Oryctolagus cuniculus
0.00825	-	N-[[([1,1'-biphenyl]-4-yl)oxy]acetyl]-beta-D-glucopyranosylamine	pH and temperature not specified in the publication	Oryctolagus cuniculus
0.04868	-	N-[(2E)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoyl]-beta-D-glucopyranosylamine	pH and temperature not specified in the publication	Oryctolagus cuniculus
0.07529	-	N-[(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl]-beta-D-glucopyranosylamine	pH and temperature not specified in the publication	Oryctolagus cuniculus
0.3769	-	N-[(3S)-3-(4-ethylphenyl)butanoyl]-beta-D-glucopyranosylamine	pH and temperature not specified in the publication	Oryctolagus cuniculus

General Information

General Information	Comment	Organism
additional information	modeling of the glycogen phosphorylase b GPb receptor structure using the 2.15 A resolution GPb-N-4-phenylbenzoyl-2-N'-beta-D-glycopyrglycopyranosyl urea crystal complex, PDB ID 2QLN	Oryctolagus cuniculus

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Release 2023.1 (January 2023)