文章基本信息

标题：Drug Repurposing: In Silico Modeling of Mucor Mycosis
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作者：Bharat Kwatra ; Barshana Bhattacharya ; Tanvi Khokhawat 等
期刊名称：Journal of Scientific Research and Reports
电子版ISSN：2320-0227
出版年度：2021
卷号：27
期号：10
页码：53-61
DOI：10.9734/jsrr/2021/v27i1030449
语种：English
出版社：Sciencedomain International
摘要：The globe has recently been fighting a battle with black fungus, also known as Mucormycosis, and with no immediate treatments available, the disease's devastation is spreading at an alarming rate. A large number of researchers are still looking for a promising new drug that could aid the medical care system in this fight. A docking-based screening employing quantum mechanical scoring of a library is shown, built from approved drugs and compounds that Ellagic acid, Hesperetin, Capsaicin, Concanavalin, Cinnamic acid, Quercetin, Citronellal, Limonene, Progoitrin, Sinigrin, Allicin, Curcumin, Indole, Resveratrol, Strigol, D-limonene, Benzoic acid, Panaxydol, Kaempferol and Berberine with Protein with PDB id 6VCT could display antifungal activity against Mucormycosis. Clearly, these compounds should be further evaluated in experimental assays and clinical trials to confirm their actual activity against the disease. We hope that these findings may contribute to the rational drug design against Mucormycosis.
关键词：Computational drug design;mucormyosis;drug repurposing;phytochemicals;anti-fungal