Effect of Alzheimer Familial Chromosomal Mutations on the Amyloid Fibril Interaction with Different PET Tracers: Insight from Molecular Modeling Studies

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Fältnamn	Indikatorer	Metadata
000		05351naa a2200541 4500
001		oai:DiVA.org:kth-221390
003		SwePub
008		180117s2017 \| \|\|\|\|\|\|\|\|\|\|\|000 \|\|eng\|
009		oai:prod.swepub.kib.ki.se:137333700
009		oai:DiVA.org:uu-340324
024	7	a https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-2213902 URI
024	7	a https://doi.org/10.1021/acschemneuro.7b002152 DOI
024	7	a http://kipublications.ki.se/Default.aspx?queryparsed=id:1373337002 URI
024	7	a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-3403242 URI
040		a (SwePub)kthd (SwePub)kid (SwePub)uu
041		a engb eng
042		9 SwePub
072	7	a ref2 swepub-contenttype
072	7	a art2 swepub-publicationtype
100	1	a Balamurugan, Kanagasabaiu KTH,Teoretisk kemi och biologi,Royal Inst Technol KTH, AlbaNova Univ Ctr, Sch Biotechnol, Div Theoret Chem & Biol, S-10691 Stockholm, Sweden.4 aut0 (Swepub:kth)u1hazqq2
245	1 0	a Effect of Alzheimer Familial Chromosomal Mutations on the Amyloid Fibril Interaction with Different PET Tracers :b Insight from Molecular Modeling Studies
264		c 2017-10-03
264	1	b American Chemical Society (ACS),c 2017
338		a print2 rdacarrier
500		a QC 20180117
520		a Alzheimer's disease (AD) is the most common neurodegenerative disorder. Along with an increasing number of elderly worldwide, it poses a great challenge for the society and health care. Although sporadic AD is the common form of AD, 2-3% of the AD cases are expected to be due to mutations in the fi region of the amyloid precursor protein, which is referred to as autosomal dominant AD (ADAD). These mutations may cause changes in the secondary structure of the amyloid fi fibrils and may alter the fibrillization rate leading to changes in the disease development and could also affect the binding to tracers used in diagnosis. In particular, from some recent clinical studies using PET tracers for detection of fibrillar amyloids, it is evident that in ADAD patients with Arctic mutation no amyloid plaque binding can be detected with the "C Pittsburgh Compound B (C-11-PIB). However, for in vitro conditions, significant binding of H-3-PIB has been reported for the amyloid fibrils carrying the Arctic mutation. The aim of the present study is to investigate if there is any mutation specific binding of commonly used amyloid tracers, namely, florbetaben, florbetapir, FPIB, AZD4694, and AZD2184, by means of molecular modeling techniques. Other than Arctic, ADAD mutations, such as the Dutch, Italian, Iowa, and Flemish mutations, are considered in this study. We report that all tracers except florbetapir show reduced binding affinity toward amyloid beta fibrils with the Arctic mutation when compared to the native type. Moreover, florbetapir is the only tracer that binds to all mutants with increased affinity when compared to the native fibril. The results obtained from these studies could increase the understanding of the structural changes caused by mutation and concomitant changes in the interaction pattern of the PET tracers with the mutated variants, which in turn can be useful in selecting the appropriate tracers for the purpose of diagnosis as well as for designing new tracers with desirable properties.
650	7	a NATURVETENSKAPx Biologix Biokemi och molekylärbiologi0 (SwePub)106022 hsv//swe
650	7	a NATURAL SCIENCESx Biological Sciencesx Biochemistry and Molecular Biology0 (SwePub)106022 hsv//eng
650	7	a MEDICIN OCH HÄLSOVETENSKAPx Medicinsk bioteknologi0 (SwePub)3042 hsv//swe
650	7	a MEDICAL AND HEALTH SCIENCESx Medical Biotechnology0 (SwePub)3042 hsv//eng
653		a Alzheimer's disease
653		a PET tracers
653		a autosomal dominant Alzheimer's disease
653		a molecular dynamics simulation
653		a docking
653		a MM/GBSA
653		a familial mutations
700	1	a Natarajan Arul, Muruganu KTH,Teoretisk kemi och biologi,Royal Inst Technol KTH, AlbaNova Univ Ctr, Sch Biotechnol, Div Theoret Chem & Biol, S-10691 Stockholm, Sweden.4 aut0 (Swepub:kth)u1tv6j3w
700	1	a Långström, Bengtu Uppsala universitet,Organisk kemi4 aut0 (Swepub:uu)benglang
700	1	a Nordberg, Agnetau Karolinska Institutet,Karolinska Univ Hosp, Karolinska Inst, Dept Neurobiol Care Sci & Soc, Ctr Alzheimer Res,Translat Alzheimer Neurobiol,De, S-14186 Stockholm, Sweden.4 aut
700	1	a Ågren, Hansu KTH,Teoretisk kemi och biologi,Siberian Federal University, Russian Federation,Royal Inst Technol KTH, AlbaNova Univ Ctr, Sch Biotechnol, Div Theoret Chem & Biol, S-10691 Stockholm, Sweden.;Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Svobodny Pr 79, Krasnoyarsk 660041, Russia.4 aut0 (Swepub:kth)u1l2s96v
710	2	a KTHb Teoretisk kemi och biologi4 org
773	0	t ACS Chemical Neuroscienced : American Chemical Society (ACS)g 8:12, s. 2655-2666q 8:12<2655-2666x 1948-7193
856	4	u http://elib.sfu-kras.ru/bitstream/2311/69618/1/mutation.abeta_.acs_.neuroscience.pdf
856	4 8	u https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-221390
856	4 8	u https://doi.org/10.1021/acschemneuro.7b00215
856	4 8	u http://kipublications.ki.se/Default.aspx?queryparsed=id:137333700
856	4 8	u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-340324

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Av författaren/redakt...: Balamurugan, Kan ...; Natarajan Arul, ...; Långström, Bengt; Nordberg, Agneta; Ågren, Hans

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