Division of Gerontology and Geriatric Medicine, Department of Medicine, University of Washington, Seattle, WA, United States of America.
Geriatrics Research Education and Clinical Center, Veterans Affairs Puget Sound Health Care System, Seattle, WA, United States of America.
PLoS One. 2021 Feb 1;16(2):e0245962. doi: 10.1371/journal.pone.0245962. eCollection 2021.
Effective SARS-CoV-2 antiviral drugs are desperately needed. The SARS-CoV-2 main protease (Mpro) appears as an attractive target for drug development. We show that the existing pharmacopeia contains many drugs with potential for therapeutic repurposing as selective and potent inhibitors of SARS-CoV-2 Mpro. We screened a collection of ~6,070 drugs with a previous history of use in humans for compounds that inhibit the activity of Mpro in vitro and found ~50 compounds with activity against Mpro. Subsequent dose validation studies demonstrated 8 dose responsive hits with an IC50 ≤ 50 μM. Hits from our screen are enriched with hepatitis C NS3/4A protease targeting drugs including boceprevir, ciluprevir. narlaprevir, and telaprevir. This work suggests previous large-scale commercial drug development initiatives targeting hepatitis C NS3/4A viral protease should be revisited because some previous lead compounds may be more potent against SARS-CoV-2 Mpro than boceprevir and suitable for rapid repurposing.
我们迫切需要有效的 SARS-CoV-2 抗病毒药物。SARS-CoV-2 主要蛋白酶(Mpro)似乎是药物开发的一个有吸引力的靶点。我们表明,现有的药典中包含许多具有治疗再利用潜力的药物,可作为 SARS-CoV-2 Mpro 的选择性和有效抑制剂。我们筛选了约 6070 种以前在人类中使用过的药物,以寻找抑制 Mpro 体外活性的化合物,并发现了约 50 种具有 Mpro 活性的化合物。随后的剂量验证研究表明,有 8 种剂量反应性命中物的 IC50≤50 μM。我们筛选出的命中物富含丙型肝炎 NS3/4A 蛋白酶靶向药物,包括博赛泼维、西鲁伐韦、那拉普韦和特拉匹韦。这项工作表明,应该重新审视以前针对丙型肝炎 NS3/4A 病毒蛋白酶的大规模商业药物开发计划,因为一些以前的先导化合物可能对 SARS-CoV-2 Mpro 的活性比博赛泼维更强,适合快速重新利用。