Molecular recognition and stability of 99mTc-UBI 29-41 based on experimental and semiempirical results

Applied Radiation and Isotopes : Including Data, Instrumentation and Methods for Use in Agriculture, Industry and Medicine
Guillermina Ferro-FloresMartha Pedraza-López

Abstract

99mTc-UBI 29-41 is an antimicrobial peptide fragment that directly radiolabeled with 99mTc shows high in vitro and in vivo stability, rapid background clearance, minimal accumulation in non-target tissues and rapid detection of infection sites. Molecular mechanics (MM) calculation has been an essential tool in explaining experimental results associated with molecular recognition and stability. This work is an attempt to explain the 99mTc-UBI 29-41 specificity for bacteria and to understand from a structural point of view, the experimental results indicative of a molecular recognition and stability not well favored for two other cationic peptides (99mTc-Tat-1-Scr and 99mTc-Tat-2-Scr ) used as control. Structures of 99mTc-UBI, 99mTc-Tat-1-Scr, 99mTc-Tat-2-Scr and of the corresponding free cationic peptides were built and the optimized structures, in the best stable configurations, were calculated by a MM procedure. In order to correlate the calculated and experimental results, in vitro stability tests with cysteine challenge and stability to dilution in human serum and in saline solution, were performed for the three labeled cationic peptides. The three complexes can be represented by the general formula [Tc(V)(O)(H2O)2(Lysn=1,2-...Continue Reading

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Aug 6, 2003·Nuclear Medicine and Biology·Guillermina Ferro-FloresDonald J Hnatowich
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Mar 19, 2004·Nuclear Medicine and Biology·Laura Meléndez-AlafortCarlos Martínez-Duncker

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Mar 6, 2007·European Journal of Nuclear Medicine and Molecular Imaging·Laure Sarda-MantelDominique Le Guludec
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Jan 16, 2016·Journal of Nuclear Medicine : Official Publication, Society of Nuclear Medicine·Mónica VilcheHenry Engler

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