Computers in Biology and Medicine ( IF 7.7 ) Pub Date : 2021-07-31 , DOI: 10.1016/j.compbiomed.2021.104722 Susmit Mhatre 1 , Vandana Patravale 1
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.
中文翻译:
使用分子对接重新利用三唑类药物治疗毛霉菌病:一个简短的交流
背景
由于免疫力受到抑制,毛霉菌病是一种由根霉属物种引起的真菌感染,在 COVID-19 患者中呈上升趋势。目前的疗法包括全身给药两性霉素 B。
假设与方法
我们使用分子对接等计算技术筛选了几种针对毛霉菌病治疗靶点的三唑广谱抗真菌剂,并将它们与已批准的药物艾沙康唑进行了比较。
结果
该研究得出的结论是,普拉康唑、伊曲康唑、泊沙康唑和酮康唑这 4 种三唑类药物是强有力的候选药物,需要进一步评估和开发用于治疗毛霉菌病。
结论
可以从这些药物先导开发新的局部和口服疗法。