タイトル | 6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum. |
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ジャーナル・号・ページ | Bioorg. Med. Chem., Vol. 27, Page 115158-115158, Year 2019 |
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掲載日 | 2019年8月13日 (構造データの登録日) |
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著者 | Saepua, S. / Sadorn, K. / Vanichtanankul, J. / Anukunwithaya, T. / Rattanajak, R. / Vitsupakorn, D. / Kamchonwongpaisan, S. / Yuthavong, Y. / Thongpanchang, C. |
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リンク | Bioorg. Med. Chem. / PubMed:31685330 |
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手法 | X線回折 |
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解像度 | 1.97 - 2.149 Å |
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構造データ | PDB-6kot: Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12128 and NADPH 手法: X-RAY DIFFRACTION / 解像度: 2.149 Å PDB-6kp2: Quadruple mutant plasmodium falciparum dihydrofolate reductase complexed with B10042 手法: X-RAY DIFFRACTION / 解像度: 1.973 Å PDB-6kp7: Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12154 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-6kpr: Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12155 inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å |
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化合物 | ChemComp-DQ0: 4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid
ChemComp-NDP: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / NADPH / ニコチンアミドアデニンジヌクレオチドリン酸
ChemComp-DQ3: 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine
ChemComp-DQ9: 2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid
ChemComp-DQF: 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid
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由来 | - plasmodium falciparum (マラリア病原虫)
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キーワード | OXIDOREDUCTASE (酸化還元酵素) / TRANSFERASE (転移酵素) / quadruple mutant dihydrofolate reductase / inhibitor (酵素阻害剤) / plasmodium falciparum / Dihydrofolate reductase (ジヒドロ葉酸レダクターゼ) / Antimalarial / Antifolate / ANTIBIOTIC (抗生物質) |
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