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Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations.
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- Ersmark, Karolina (author)
- Uppsala universitet,Institutionen för läkemedelskemi,Strukturell molekylärbiologi,ORGFARM
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- Nervall, Martin (author)
- Uppsala universitet,Strukturell molekylärbiologi,Institutionen för cell- och molekylärbiologi
- Hamelink, Elizabeth (author)
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- Janka, Linda K (author)
- Clemente, Jose C (author)
- Dunn, Ben M (author)
- Blackman, Michael J (author)
- Samuelsson, Bertil (author)
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- (creator_code:org_t)
- 2005
- 2005
- English.
- In: J Med Chem. - 0022-2623. ; 48:19, s. 6090-6106
- Journal article (peer-reviewed)
Subject headings
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Keyword
- Animals
- Antimalarials/*chemical synthesis/chemistry
- Aspartic Endopeptidases/*antagonists & inhibitors/chemistry
- Cathepsin D/antagonists & inhibitors
- Humans
- Hydrazines/*chemical synthesis/chemistry
- Mannitol/*analogs & derivatives/*chemical synthesis/chemistry
- Models; Molecular
- Molecular Conformation
- Oxadiazoles/*chemical synthesis/chemistry
- Plasmodium falciparum/enzymology
- Protein Binding
- Quantitative Structure-Activity Relationship
- Research Support; Non-U.S. Gov't
- Stereoisomerism
- Thermodynamics
Publication and Content Type
- ref (subject category)
- art (subject category)
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- Aqvist, Johan
- Hallberg, Anders
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- J Med Chem
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- Uppsala University
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