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Modelling the behav...
Modelling the behavior of 5-aminolevulinic acid and its alkyl esters in a lipid bilayer
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- Erdtman, Edvin (author)
- Örebro universitet,Institutionen för naturvetenskap,Biofysikalisk kemi,Institutionen för naturvetenskap and Modelling and Simulation Research Center, Örebro University, Sweden
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- dos Santos, Daniel J. V. A. (author)
- i. Med. UL/Institute for Medicine and Pharmaceutical Sciences, Faculty of Pharmacy, University of Lisbon. Av. Prof. Gama Pinto, Lisbon, Portugal
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- Löfgren, Lennart (author)
- Head- and Neck Oncology Center, Örebro University Hospital, Örebro, Sweden
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- Eriksson, Leif A. (author)
- Örebro universitet,Institutionen för naturvetenskap,Biofysikalisk Kemi,Örebro universitet, Institutionen för naturvetenskap
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(creator_code:org_t)
- Amsterdam : North-Holland Publishing Co, 2008
- 2008
- English.
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In: Chemical Physics Letters. - Amsterdam : North-Holland Publishing Co. - 0009-2614 .- 1873-4448. ; 463:1-3, s. 178-182
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Subject headings
Close
- 5-Aminolevulinic acid (5ALA) and ester derivates thereof are used as prodrugs in photodynamic therapy (PDT). The behavior of 5ALA and three esters of 5ALA in a DPPC lipid bilayer is investigated. In particular, the methyl ester displays a very different free energy profile, where the highest barrier is located in the region with highest lipid density, while the others have their peak in the middle of the membrane, and also displays a considerably lower permeability coefficient than neutral 5ALA and the ethyl ester. The zwitterion of 5ALA has the highest permeability constant, but a significant free energy minimum in the polar head-group region renders an accumulation in this region.
Subject headings
- MEDICIN OCH HÄLSOVETENSKAP -- Medicinsk bioteknologi -- Medicinsk bioteknologi (hsv//swe)
- MEDICAL AND HEALTH SCIENCES -- Medical Biotechnology -- Medical Biotechnology (hsv//eng)
- MEDICIN OCH HÄLSOVETENSKAP -- Medicinska och farmaceutiska grundvetenskaper -- Läkemedelskemi (hsv//swe)
- MEDICAL AND HEALTH SCIENCES -- Basic Medicine -- Medicinal Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- Molecular-dynamics simulations
- photodynamic therapy
- adenocarcinoma cells
- beta transporters
- hydrated DPPC
- derivates
- permeation
- protoporphyrin
- transition
- membranes
- Biochemistry
- Biokemi
- Pharmaceutical chemistry
- Farmaceutisk kemi
- Biophysical chemistry
- Biofysikalisk kemi
- Theoretical chemistry
- Teoretisk kemi
- Biochemistry
- Biokemi
- Fysikalisk kemi
- Physical Chemistry
Publication and Content Type
- ref (subject category)
- art (subject category)
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