2022
DOI: 10.1590/0037-8682-0188-2022
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Pulmonary and cerebral paracoccidioidomycosis

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“…The top 20% compounds (516 chemical structures) obtained through shape-based filtering were then subjected to a consensus docking analysis within the catalytic site of the HSD homology model 8 using AutoDock Vina, 16 Molegro Virtual Docker (MVD) 17 and Gold. 18 Finally, we performed a medicinal chemistry-based inspection to assess the synthetic accessibility and viability of the designed N -acylhydrazones. At the end of this process, six putative compounds were prioritized for the synthesis and experimental validation.…”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…The top 20% compounds (516 chemical structures) obtained through shape-based filtering were then subjected to a consensus docking analysis within the catalytic site of the HSD homology model 8 using AutoDock Vina, 16 Molegro Virtual Docker (MVD) 17 and Gold. 18 Finally, we performed a medicinal chemistry-based inspection to assess the synthetic accessibility and viability of the designed N -acylhydrazones. At the end of this process, six putative compounds were prioritized for the synthesis and experimental validation.…”
Section: Resultsmentioning
confidence: 99%
“…have been described in workers who have contact with soil in Brazil, as well as in patients in Europe who are travelers from endemic areas, in patients who have undergone liver and kidney transplants and in patients, who presented holocranial headache for two months. [15][16][17][18] Considering the reported cases of PCM and the few drugs marketed for its treatment, research that seeks alternative compounds is important.…”
Section: Discussionmentioning
confidence: 99%