Literature summary for 3.1.1.4 extracted from

de Alvarenga, E.S.; Silva, S.A.; Barosa, L.C.; Demuner, A.J.; Parreira, A.G.; Ribeiro, R.I.; Marcussi, S.; Ferreira, J.M.; Resende, R.R.; Granjeiro, P.A.; Silva, J.A.; Soares, A.M.; Marangoni, S.; Da Silva, S.L.
Synthesis and evaluation of sesquiterpene lactone inhibitors of phospholipase A2 from Bothrops jararacussu (2011), Toxicon, 57, 100-108.

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Inhibitors

Inhibitors	Comment	Organism	Structure
(3E)-3-[(3aS,7aS)-3-methyl-2-oxo-6-(propan-2-ylidene)hexahydro-1-benzofuran-7(4H)-ylidene]propanoic acid	non-competitive inhibition	Bothrops jararacussu
(3R,3aS,5aS,8bR)-3,5a,5b-trimethyl-3a,4,5,5a,5b,8b-hexahydro-2H-cyclopenta[2,3]cyclopropa[1,2-g]benzofuran-2,6(3H)-dione	non-competitive inhibition	Bothrops jararacussu
(3R,3aS,5aS,9bR)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione	non-competitive inhibition	Bothrops jararacussu
(3R,3aS,6R,8S,9bS)-6,8-dihydroxy-3,6,9-trimethyl-3,3a,4,5,6,6a,7,8-octahydroazuleno[4,5-b]furan-2(9bH)-one	non-competitive inhibition	Bothrops jararacussu
(3R,3aS,6R,8S,9bS)-8-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-6-yl acetate	-	Bothrops jararacussu
(3R,3aS,6R,9bS)-3,6,9-trimethyl-2,8-dioxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-6-yl acetate	-	Bothrops jararacussu
(3R,3aS,6R,9bS)-6-hydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7-hexahydroazuleno[4,5-b]furan-2,8(3H,9bH)-dione	-	Bothrops jararacussu
(3S)-5a-(1-bromo-1-methylethyl)-3-methyl-3,3a,5,5a,8,9b-hexahydro-4H-furo[2,3-f]chromene-2,7-dione	non-competitive inhibition	Bothrops jararacussu

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
0.734	-	(3R,3aS,5aS,9bR)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.738	-	(3R,3aS,6R,8S,9bS)-8-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-6-yl acetate	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.738	-	(3S)-5a-(1-bromo-1-methylethyl)-3-methyl-3,3a,5,5a,8,9b-hexahydro-4H-furo[2,3-f]chromene-2,7-dione	0.027 mM bovine serum albumin,50 mM KCl, 1 mM CaCl2, 50 mM Tris-HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.742	-	(3E)-3-[(3aS,7aS)-3-methyl-2-oxo-6-(propan-2-ylidene)hexahydro-1-benzofuran-7(4H)-ylidene]propanoic acid	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.742	-	(3R,3aS,6R,9bS)-3,6,9-trimethyl-2,8-dioxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-6-yl acetate	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.744	-	(3R,3aS,6R,8S,9bS)-6,8-dihydroxy-3,6,9-trimethyl-3,3a,4,5,6,6a,7,8-octahydroazuleno[4,5-b]furan-2(9bH)-one	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.744	-	(3R,3aS,6R,9bS)-6-hydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7-hexahydroazuleno[4,5-b]furan-2,8(3H,9bH)-dione	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.746	-	(3R,3aS,5aS,8bR)-3,5a,5b-trimethyl-3a,4,5,5a,5b,8b-hexahydro-2H-cyclopenta[2,3]cyclopropa[1,2-g]benzofuran-2,6(3H)-dione	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu

Organism

Organism	UniProt	Comment	Textmining
Bothrops jararacussu	-	-	-

Purification (Commentary)

Purification (Comment)	Organism
Sephadex G-75 gel filtration and cation-exchange chromatography	Bothrops jararacussu

Source Tissue

Source Tissue	Comment	Organism	Textmining
venom	-	Bothrops jararacussu	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
(3E)-3-[(3aS,7aS)-3-methyl-2-oxo-6-(propan-2-ylidene)hexahydro-1-benzofuran-7(4H)-ylidene]propanoic acid + H2O	-	Bothrops jararacussu	?	-	?
(3R,3aS,5aS,8bR)-3,5a,5b-trimethyl-3a,4,5,5a,5b,8b-hexahydro-2H-cyclopenta[2,3]cyclopropa[1,2-g]benzofuran-2,6(3H)-dione + H2O	-	Bothrops jararacussu	?	-	?
(3R,3aS,5aS,9bR)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione + H2O	-	Bothrops jararacussu	?	-	?
(3R,3aS,6R,8S,9bS)-6,8-dihydroxy-3,6,9-trimethyl-3,3a,4,5,6,6a,7,8-octahydroazuleno[4,5-b]furan-2(9bH)-one + H2O	-	Bothrops jararacussu	?	-	?
(3R,3aS,6R,8S,9bS)-8-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-6-yl acetate + H2O	-	Bothrops jararacussu	?	-	?
(3R,3aS,6R,9bS)-3,6,9-trimethyl-2,8-dioxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-6-yl acetate + H2O	-	Bothrops jararacussu	?	-	?
(3R,3aS,6R,9bS)-6-hydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7-hexahydroazuleno[4,5-b]furan-2,8(3H,9bH)-dione + H2O	-	Bothrops jararacussu	?	-	?
(3S)-5a-(1-bromo-1-methylethyl)-3-methyl-3,3a,5,5a,8,9b-hexahydro-4H-furo[2,3-f]chromene-2,7-dione + H2O	-	Bothrops jararacussu	?	-	?
1-hexadecanoyl-2-(10-pyrenedecanoyl)-sn-glycero-3-phosphoglycerol + H2O	-	Bothrops jararacussu	1-hexadecanoyl-glycero-3-phosphoethanolamine + 10-pyrenedecanoate	-	?

Synonyms

Synonyms	Comment	Organism
PLA2	-	Bothrops jararacussu

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.000075	-	(3R,3aS,5aS,9bR)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.000075	-	(3R,3aS,5aS,8bR)-3,5a,5b-trimethyl-3a,4,5,5a,5b,8b-hexahydro-2H-cyclopenta[2,3]cyclopropa[1,2-g]benzofuran-2,6(3H)-dione	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.000833	-	(3S)-5a-(1-bromo-1-methylethyl)-3-methyl-3,3a,5,5a,8,9b-hexahydro-4H-furo[2,3-f]chromene-2,7-dione	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris-HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.000887	-	(3E)-3-[(3aS,7aS)-3-methyl-2-oxo-6-(propan-2-ylidene)hexahydro-1-benzofuran-7(4H)-ylidene]propanoic acid	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.007913	-	(3R,3aS,6R,9bS)-6-hydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7-hexahydroazuleno[4,5-b]furan-2,8(3H,9bH)-dione	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.008834	-	(3R,3aS,6R,8S,9bS)-8-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-6-yl acetate	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
0.00924	-	(3R,3aS,6R,9bS)-3,6,9-trimethyl-2,8-dioxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-6-yl acetate	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu
7.622	-	(3R,3aS,6R,8S,9bS)-6,8-dihydroxy-3,6,9-trimethyl-3,3a,4,5,6,6a,7,8-octahydroazuleno[4,5-b]furan-2(9bH)-one	0.027 mM bovine serum albumin, 50 mM KCl, 1 mM CaCl2, 50 mM Tris- HCl, pH 8.0, temperature not specified in the publication	Bothrops jararacussu

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Release 2023.1 (January 2023)