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Design, synthesis and evaluation of a new Mn - Contrast agent for MR imaging of myocardium based on the DTPA-phenylpentadecanoic acid complex
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology. National Research Tomsk Polytechnic University, Russian Federation.
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2016 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 665, p. 111-116Article in journal (Refereed) Published
Abstract [en]

In the present paper we describe the first synthesis and evaluation of a novel Mn (II) complex (DTPA-PPDA Mn (II)) which contains a C-15 fatty acid moiety that has high affinity to the heart muscle. The complexation energy of DTPA-PPDA Mn (II) evaluated by quantum chemistry methodology indicates that it essentially exceeds the corresponding value for the known DTPA Mn (II) complex. Molecular docking revealed that the affinity of the designed complex to the heart-type transport protein H-FABP well exceeds that of lauric acid. Phantom experiments in low-field MRI the designed contrast agent provides MR imaging comparable to gadopentetic acid.

Place, publisher, year, edition, pages
2016. Vol. 665, p. 111-116
Keywords [en]
MRI-contrast agent, DFT, Molecular docking, Manganese, Gadolinium
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-198958DOI: 10.1016/j.cplett.2016.10.058ISI: 000387311600019Scopus ID: 2-s2.0-84994030726OAI: oai:DiVA.org:kth-198958DiVA, id: diva2:1065420
Note

QC 20170116

Available from: 2017-01-16 Created: 2016-12-22 Last updated: 2017-11-29Bibliographically approved

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Valiev, Rashid R.Ågren, Hans

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