Computers in biology and medicine · 2021
Drug repurposing of triazoles against mucormycosis using molecular docking: A short communication.
СтатьяНазвание и аннотация: Перевод в очереди
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Mhatre Susmit, Patravale Vandana
Аннотация
BACKGROUND: Mucormycosis, a fungal infection caused by Rhizopus species is on the rise in COVID-19 patients as a result of their suppressed immunity. The current therapies include systemic administration of Amphotericin B.
HYPOTHESIS AND METHOD: We screened several triazole broad-spectrum antifungal agents against the therapeutic target in mucormycosis using computational techniques like molecular docking and compared them with isavuconazole, an approved drug.
RESULT: The study concluded that 4 triazole drugs, pramiconazole, itraconazole, posaconazole and ketoconazole were strong candidates to be further evaluated and developed as a treatment for mucormycosis.
CONCLUSION: Novel topical and oral therapies could be developed from these drug leads.
HYPOTHESIS AND METHOD: We screened several triazole broad-spectrum antifungal agents against the therapeutic target in mucormycosis using computational techniques like molecular docking and compared them with isavuconazole, an approved drug.
RESULT: The study concluded that 4 triazole drugs, pramiconazole, itraconazole, posaconazole and ketoconazole were strong candidates to be further evaluated and developed as a treatment for mucormycosis.
CONCLUSION: Novel topical and oral therapies could be developed from these drug leads.