New leads for fragment-based design of rhenium/technetium radiopharmaceutical agentsCitation formats

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New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents. / Brink, Alice; Helliwell, John R.

In: IU Cr J , Vol. 4, 05.2017, p. 283-290.

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@article{9c87dbf02a2a4d3a9339df143d080849,
title = "New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents",
abstract = "Multiple possibilities for the coordination of fac-[Re(CO)3(H2O)3]+ to a protein have been determined and include binding to Asp, Glu, Arg and His amino-Acid residues as well as to the C-Terminal carboxylate in the vicinity of Leu and Pro. The large number of rhenium metal complex binding sites that have been identified on specific residues thereby allow increased target identification for the design of future radiopharmaceuticals. The core experimental concept involved the use of state-of-Art tuneable synchrotron radiation at the Diamond Light Source to optimize the rhenium anomalous dispersion signal to a large value (f′′ of 12.1 electrons) at its L I absorption edge with a selected X-ray wavelength of 0.9763 14;{\AA}. At the Cu 14;K X-ray wavelength (1.5418 14;{\AA}) the f′′ for rhenium is 5.9 electrons. The expected peak-height increase owing to the optimization of the Re f′′ was therefore 2.1. This X-ray wavelength tuning methodology thereby showed the lower occupancy rhenium binding sites as well as the occupancies of the higher occupancy rhenium binding sites.",
keywords = "fragment-based design, radiopharmaceutical agents, rhenium, technetium, two X-ray wavelengths",
author = "Alice Brink and Helliwell, {John R.}",
year = "2017",
month = may,
doi = "10.1107/S2052252517003475",
language = "English",
volume = "4",
pages = "283--290",
journal = "IU Cr J ",
issn = "2052-2525",
publisher = "International Union of Crystallography",

}

RIS

TY - JOUR

T1 - New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents

AU - Brink, Alice

AU - Helliwell, John R.

PY - 2017/5

Y1 - 2017/5

N2 - Multiple possibilities for the coordination of fac-[Re(CO)3(H2O)3]+ to a protein have been determined and include binding to Asp, Glu, Arg and His amino-Acid residues as well as to the C-Terminal carboxylate in the vicinity of Leu and Pro. The large number of rhenium metal complex binding sites that have been identified on specific residues thereby allow increased target identification for the design of future radiopharmaceuticals. The core experimental concept involved the use of state-of-Art tuneable synchrotron radiation at the Diamond Light Source to optimize the rhenium anomalous dispersion signal to a large value (f′′ of 12.1 electrons) at its L I absorption edge with a selected X-ray wavelength of 0.9763 14;Å. At the Cu 14;K X-ray wavelength (1.5418 14;Å) the f′′ for rhenium is 5.9 electrons. The expected peak-height increase owing to the optimization of the Re f′′ was therefore 2.1. This X-ray wavelength tuning methodology thereby showed the lower occupancy rhenium binding sites as well as the occupancies of the higher occupancy rhenium binding sites.

AB - Multiple possibilities for the coordination of fac-[Re(CO)3(H2O)3]+ to a protein have been determined and include binding to Asp, Glu, Arg and His amino-Acid residues as well as to the C-Terminal carboxylate in the vicinity of Leu and Pro. The large number of rhenium metal complex binding sites that have been identified on specific residues thereby allow increased target identification for the design of future radiopharmaceuticals. The core experimental concept involved the use of state-of-Art tuneable synchrotron radiation at the Diamond Light Source to optimize the rhenium anomalous dispersion signal to a large value (f′′ of 12.1 electrons) at its L I absorption edge with a selected X-ray wavelength of 0.9763 14;Å. At the Cu 14;K X-ray wavelength (1.5418 14;Å) the f′′ for rhenium is 5.9 electrons. The expected peak-height increase owing to the optimization of the Re f′′ was therefore 2.1. This X-ray wavelength tuning methodology thereby showed the lower occupancy rhenium binding sites as well as the occupancies of the higher occupancy rhenium binding sites.

KW - fragment-based design

KW - radiopharmaceutical agents

KW - rhenium

KW - technetium

KW - two X-ray wavelengths

UR - http://www.scopus.com/inward/record.url?scp=85018242696&partnerID=8YFLogxK

U2 - 10.1107/S2052252517003475

DO - 10.1107/S2052252517003475

M3 - Article

AN - SCOPUS:85018242696

VL - 4

SP - 283

EP - 290

JO - IU Cr J

JF - IU Cr J

SN - 2052-2525

ER -