IrsiCaixa, Germans Trias i Pujol Research Institute (IGTP), Can Ruti Campus, 08916, Badalona, Spain.
Cell Structure Lab, Centro Nacional de Biotecnologia, CNB - CSIC, Campus de Cantoblanco, 28049 Madrid, Spain.
Biomed Pharmacother. 2023 Aug;164:114997. doi: 10.1016/j.biopha.2023.114997. Epub 2023 Jun 8.
The SARS-CoV-2 pandemic made evident that there are only a few drugs against coronavirus. Here we aimed to identify a cost-effective antiviral with broad spectrum activity and high safety profile. Starting from a list of 116 drug candidates, we used molecular modelling tools to rank the 44 most promising inhibitors. Next, we tested their efficacy as antivirals against α and β coronaviruses, such as the HCoV-229E and SARS-CoV-2 variants. Four drugs, OSW-1, U18666A, hydroxypropyl-β-cyclodextrin (HβCD) and phytol, showed in vitro antiviral activity against HCoV-229E and SARS-CoV-2. The mechanism of action of these compounds was studied by transmission electron microscopy and by fusion assays measuring SARS-CoV-2 pseudoviral entry into target cells. Entry was inhibited by HβCD and U18666A, yet only HβCD inhibited SARS-CoV-2 replication in the pulmonary Calu-3 cells. Compared to the other cyclodextrins, β-cyclodextrins were the most potent inhibitors, which interfered with viral fusion via cholesterol depletion. β-cyclodextrins also prevented infection in a human nasal epithelium model ex vivo and had a prophylactic effect in the nasal epithelium of hamsters in vivo. All accumulated data point to β-cyclodextrins as promising broad-spectrum antivirals against different SARS-CoV-2 variants and distant alphacoronaviruses. Given the wide use of β-cyclodextrins for drug encapsulation and their high safety profile in humans, our results support their clinical testing as prophylactic antivirals.
SARS-CoV-2 大流行表明,针对冠状病毒的药物寥寥无几。在此,我们旨在寻找一种具有广谱活性和高安全性的经济有效的抗病毒药物。我们从 116 种候选药物清单中,使用分子建模工具对 44 种最有前途的抑制剂进行排序。接下来,我们测试了它们作为抗病毒药物对 α 和 β 冠状病毒的疗效,例如 HCoV-229E 和 SARS-CoV-2 变体。四种药物,OSW-1、U18666A、羟丙基-β-环糊精(HβCD)和叶绿醇,在体外显示出对 HCoV-229E 和 SARS-CoV-2 的抗病毒活性。通过透射电子显微镜和测量 SARS-CoV-2 假病毒进入靶细胞的融合试验研究了这些化合物的作用机制。HβCD 和 U18666A 抑制了进入,但是只有 HβCD 抑制了 Calu-3 细胞中的 SARS-CoV-2 复制。与其他环糊精相比,β-环糊精是最有效的抑制剂,通过胆固醇耗竭干扰病毒融合。β-环糊精还可以防止在体外人类鼻上皮模型中的感染,并在体内仓鼠的鼻上皮中具有预防作用。所有累积的数据表明,β-环糊精是针对不同 SARS-CoV-2 变体和遥远的α冠状病毒的有前途的广谱抗病毒药物。鉴于β-环糊精在药物包封中的广泛使用及其在人类中的高安全性,我们的结果支持将其作为预防性抗病毒药物进行临床测试。