三唑类药物抗毛霉病的药物再利用：一项简短交流。
Drug repurposing of triazoles against mucormycosis using molecular docking: A short communication.
机构信息
Department of Pharmaceutical Science and Technology, Institute of Chemical Technology, Mumbai, Nathalal Parekh Marg, Matunga (E) Mumbai-19, Maharashtra, India.
Department of Pharmaceutical Science and Technology, Institute of Chemical Technology, Mumbai, Nathalal Parekh Marg, Matunga (E) Mumbai-19, Maharashtra, India.
出版信息
Comput Biol Med. 2021 Sep;136:104722. doi: 10.1016/j.compbiomed.2021.104722. Epub 2021 Jul 31.
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.
背景
由于 COVID-19 患者的免疫力受到抑制，导致由根霉属物种引起的真菌感染——毛霉菌病呈上升趋势。目前的治疗方法包括全身性给予两性霉素 B。
假设和方法
我们使用分子对接等计算技术筛选了几种三唑广谱抗真菌药物针对毛霉菌病的治疗靶点，并与已批准的药物伊曲康唑进行了比较。
结果
该研究得出结论，4 种三唑药物——普那康唑、伊曲康唑、泊沙康唑和酮康唑是进一步评估和开发为毛霉菌病治疗药物的有力候选药物。
结论
可以从这些药物先导物中开发出新型的局部和口服疗法。
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