Pharmacophore Modeling for Anti-Chagas Drug Design Using the Fragment Molecular Orbital Method
作者： Ryunosuke Yoshino , Nobuaki Yasuo , Daniel Ken Inaoka , Yohsuke Hagiwara , Kazuki Ohno
DOI: 10.1371/JOURNAL.PONE.0125829
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摘要: Background Chagas disease, caused by the parasite Trypanosoma cruzi, is a neglected tropical disease that causes severe human health problems. To develop new chemotherapeutic agent for treatment of Chagas we predicted pharmacophore model T. cruzi dihydroorotate dehydrogenase (TcDHODH) fragment molecular orbital (FMO) calculation orotate, oxonate, and 43 orotate derivatives.
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