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Literature summary for 2.5.1.16 extracted from

  • Jacobsson, M.; Gaeredal, M.; Schultz, J.; Karlen, A.
    Identification of Plasmodium falciparum spermidine synthase active site binders through structure-based virtual screening (2008), J. Med. Chem., 51, 2777-2786.
    View publication on PubMed
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Inhibitors

Inhibitors Comment Organism Structure
1H-benzimidazol-5-yl(4-[(2Z)-3-phenylprop-2-en-1-yl]piperazin-1-yl)methanone identified by a five-step structure-based virtual screening procedure as a binder to spermidine synthase active site. Binds reversibly to the active site and partially competes with binding of methylthioadenosine Plasmodium falciparum
2-[(6-amino-5,9-dihydro-4H-purin-8-yl)sulfanyl]acetamide identified by a five-step structure-based virtual screening procedure as a binder to spermidine synthase active site. Binds reversibly to the active site and competes with binding of methylthioadenosine Plasmodium falciparum
5-(1H-benzimidazol-2-yl)pentan-1-amine identified by a five-step structure-based virtual screening procedure as a binder to spermidine synthase active site. Binds reversibly to the active site Plasmodium falciparum
methyl (2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinecarbimidothioate identified by a five-step structure-based virtual screening procedure as a binder to spermidine synthase active site. Binds reversibly to the active site and partially competes with binding of methylthioadenosine Plasmodium falciparum
N-methyl-6-(piperidin-1-yl)hexan-1-amine identified by a five-step structure-based virtual screening procedure as a binder to spermidine synthase active site. Binds reversibly to the active site Plasmodium falciparum
N-[2-(phenylsulfanyl)ethyl]-1H-benzotriazole-5-carboxamide identified by a five-step structure-based virtual screening procedure as a binder to spermidine synthase active site. Binds reversibly to the active site and partially competes with binding of methylthioadenosine Plasmodium falciparum

Organism

Organism UniProt Comment Textmining
Plasmodium falciparum
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