2012
DOI: 10.1021/jm301273u
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Order and Disorder: Differential Structural Impacts of Myricetin and Ethyl Caffeate on Human Amylase, an Antidiabetic Target

Abstract: The increasing prevalence of diabetes has accelerated the search for new drugs derived from natural sources. To define the functional features of two such families of compounds, the flavonols and the ethyl caffeates, we have determined the high-resolution structures of representative inhibitors in complex with human pancreatic α-amylase. Myricetin binds at the active site and interacts directly with the catalytic residues despite its bulky planar nature. Notably, it reduces the normal conformational flexibilit… Show more

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Cited by 121 publications
(85 citation statements)
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References 42 publications
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“…Acetylcholinesterase (AchE), crystal structure PDB: 1B41 (Kryger, et al, 2000) α-Amylase crystal structure, PDB:4GQR (Williams et al, 2012), Mushroom Tyrosinase crystal PDB: 2Y9X (Ismaya et al, 2011) and α-Glucosidase crystal structure PDB: 3W37 (Tagami et al, 2013) were downloaded from the RCSB Protein Data Bank (Berman et al, 2000). The structures were manually cleaned from crystallization water molecules, salts and other small molecules by PyMol (PyMOL Molecular Graphics System), the structures were neutralized at pH = 7, and fixed from errors by the Swiss Pdb Viewer (Guex and Peitsch, 1997).…”
Section: Enzymes Preparationmentioning
confidence: 99%
“…Acetylcholinesterase (AchE), crystal structure PDB: 1B41 (Kryger, et al, 2000) α-Amylase crystal structure, PDB:4GQR (Williams et al, 2012), Mushroom Tyrosinase crystal PDB: 2Y9X (Ismaya et al, 2011) and α-Glucosidase crystal structure PDB: 3W37 (Tagami et al, 2013) were downloaded from the RCSB Protein Data Bank (Berman et al, 2000). The structures were manually cleaned from crystallization water molecules, salts and other small molecules by PyMol (PyMOL Molecular Graphics System), the structures were neutralized at pH = 7, and fixed from errors by the Swiss Pdb Viewer (Guex and Peitsch, 1997).…”
Section: Enzymes Preparationmentioning
confidence: 99%
“…Similar activities were observed for caffeic acid ethylester (18). This compound showed antihypertensive, antioxidant and anti-inflammatory activities that can be connected with usage of Ziziphora against diseases of cardiovascular system [101][102][103][104][105][106][107][108][109][110][111][112]. Similarly, rosmarinic acid (19) possesses various activities, also connected with civilization diseases like cardiovascular system illnesses, chronic inflammations and cancer [113][114][115][116].…”
Section: Omementioning
confidence: 71%
“…Caffeic acid (17) Z. clinopodioides [80] Anticancer potential reviewed [98] Protection of endothelial cells (review by Fuentes and Palomo [99]) General review on applications [100] O H O OH Ethyl ester of caffeic acid (18) Z. clinopodioides [4] Weak inhibitory activity on NO production stimulated by LPS and IFN-γ in RAW 264.7 cells [4] Antihypertensive [101,102] Anti-inflammatory [103][104][105] Antidiabetic [106] Inhibitory activity against amyloidogenesis [107] Antioxidative [108][109][110][111] Anticancer [112] O H…”
Section: O-glc Hmentioning
confidence: 99%
“…The fact that automated re-refinement without rebuilding results in few cis-totrans corrections suggests that the crystallographic data seldom indicate a X-Pro C O flip at atomic resolution. The central peptide Val129-Pro130 is shown in (a) the 1.2 Å resolution PDB entry 4gqr (Williams et al, 2012) and (b) the corresponding PDB_REDO structure. Note that in the PDB_REDO conformation not only the local backbone, but also the Val (C strong preference for the trans conformation in these cases.…”
Section: Discussionmentioning
confidence: 99%