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Bioisosteric-replacement-driven optimization of 4-methoxynaphthalene-N-acylhydrazones with anti-Paracoccidioides activity
生物等排置换驱动的4-甲氧基萘-N-酰基腙抗副枕骨类化合物活性的优化
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其它 | Paracoccidioidomycosis (PCM) is a serious system fungal infection that causes significant death and suffering, particularly in Latin America. The treatment of PCM is limited by a few pharmacological options that require long-term administration protocols. Considering the few classes of drugs available for the treatment of PCM and the long time of the treatment, developing new anti-PCM compounds is relevant. With the purpose to develop new 4-methoxynaphthalene-N-acylhydrazone bioisosteres with anti-Paracoccidioides activity, a series of 4-methoxynaphthalene-N-acylhydrazones, which had already been tested against P. brasiliensis, was used to develop shape-based models. The models underwent statistical validation and were used to filter a library of compounds, which were ranked using scoring functions. Molecular docking analysis was used to select 6 compounds that were synthesized and |
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