Dipartimento di Scienze della Salute, Università "Magna Græcia" di Catanzaro, Campus "S. Venuta", Catanzaro, Italy; Net4Science Academic Spin-Off, Università "Magna Græcia" di Catanzaro, Campus "S. Venuta", Catanzaro, Italy.
Department of Experimental Medicine, University of Rome Tor Vergata, Rome, Italy.
Drug Resist Updat. 2020 Dec;53:100721. doi: 10.1016/j.drup.2020.100721. Epub 2020 Aug 26.
Coronaviridae is a peculiar viral family, with a very large RNA genome and characteristic appearance, endowed with remarkable tendency to transfer from animals to humans. Since the beginning of the 21st century, three highly transmissible and pathogenic coronaviruses have crossed the species barrier and caused deadly pneumonia, inflicting severe outbreaks and causing human health emergencies of inconceivable magnitude. Indeed, in the past two decades, two human coronaviruses emerged causing serious respiratory illness: severe acute respiratory syndrome coronavirus (SARS-CoV-1) and Middle Eastern respiratory syndrome coronavirus (MERS-CoV), causing more than 10,000 cumulative cases, with mortality rates of 10 % for SARS-CoV-1 and 34.4 % for MERS-CoV. More recently, the severe acute respiratory syndrome coronavirus virus 2 (SARS-CoV-2) has emerged in China and has been identified as the etiological agent of the recent COVID-19 pandemic outbreak. It has rapidly spread throughout the world, causing nearly 22 million cases and ∼ 770,000 deaths worldwide, with an estimated mortality rate of ∼3.6 %, hence posing serious challenges for adequate and effective prevention and treatment. Currently, with the exception of the nucleotide analogue prodrug remdesivir, and despite several efforts, there is no known specific, proven, pharmacological treatment capable of efficiently and rapidly inducing viral containment and clearance of SARS-CoV-2 infection as well as no broad-spectrum drug for other human pathogenic coronaviruses. Another confounding factor is the paucity of molecular information regarding the tendency of coronaviruses to acquire drug resistance, a gap that should be filled in order to optimize the efficacy of antiviral drugs. In this light, the present review provides a systematic update on the current knowledge of the marked global efforts towards the development of antiviral strategies aimed at coping with the infection sustained by SARS-CoV-2 and other human pathogenic coronaviruses, displaying drug resistance profiles. The attention has been focused on antiviral drugs mainly targeting viral protease, RNA polymerase and spike glycoprotein, that have been tested in vitro and/or in clinical trials as well as on promising compounds proven to be active against coronaviruses by an in silico drug repurposing approach. In this respect, novel insights on compounds, identified by structure-based virtual screening on the DrugBank database endowed by multi-targeting profile, are also reported. We specifically identified 14 promising compounds characterized by a good in silico binding affinity towards, at least, two of the four studied targets (viral and host proteins). Among which, ceftolozane and NADH showed the best multi-targeting profile, thus potentially reducing the emergence of resistant virus strains. We also focused on potentially novel pharmacological targets for the development of compounds with anti-pan coronavirus activity. Through the analysis of a large set of viral genomic sequences, the current review provides a comprehensive and specific map of conserved regions across human coronavirus proteins which are essential for virus replication and thus with no or very limited tendency to mutate. Hence, these represent key druggable targets for novel compounds against this virus family. In this respect, the identification of highly effective and innovative pharmacological strategies is of paramount importance for the treatment and/or prophylaxis of the current pandemic but potentially also for future and unavoidable outbreaks of human pathogenic coronaviruses.
冠状病毒科是一类具有非常大的 RNA 基因组和特征外观的特殊病毒家族,具有从动物向人类转移的显著趋势。自 21 世纪初以来,三种高传染性和高致病性的冠状病毒已经跨越物种屏障,导致致命性肺炎,引发严重疫情,并造成人类健康危机,其规模令人难以想象。事实上,在过去的 20 年中,有两种人类冠状病毒引发了严重的呼吸道疾病:严重急性呼吸综合征冠状病毒(SARS-CoV-1)和中东呼吸综合征冠状病毒(MERS-CoV),导致超过 10000 例累计病例,死亡率分别为 SARS-CoV-1 的 10%和 MERS-CoV 的 34.4%。最近,严重急性呼吸综合征冠状病毒 2(SARS-CoV-2)在中国出现,并被确定为近期 COVID-19 大流行的病原体。它已迅速在全球范围内传播,导致全球近 2200 万例病例和约 77 万人死亡,估计死亡率约为 3.6%,因此对充分和有效预防和治疗构成严重挑战。目前,除了核苷酸类似物前药瑞德西韦外,尽管进行了多项努力,但仍没有已知的特定、经证实的药理学治疗方法能够有效地、快速地诱导病毒抑制和清除 SARS-CoV-2 感染,也没有广谱药物可用于治疗其他人类致病性冠状病毒。另一个令人困惑的因素是关于冠状病毒获得耐药性的分子信息很少,为了优化抗病毒药物的疗效,这一空白亟待填补。有鉴于此,本综述提供了一个系统的更新,阐述了目前全球为开发抗病毒策略所做出的显著努力,这些策略旨在应对由 SARS-CoV-2 和其他人类致病性冠状病毒引起的感染,并展示了耐药性特征。研究重点主要集中在针对病毒蛋白酶、RNA 聚合酶和刺突糖蛋白的抗病毒药物上,这些药物已经在体外和/或临床试验中进行了测试,以及通过计算药物再利用方法证明对冠状病毒有效的有前途的化合物。在这方面,还报告了通过基于结构的虚拟筛选从 DrugBank 数据库中鉴定出的新型化合物,这些化合物具有多靶点特征。我们特别鉴定了 14 种有前途的化合物,它们在计算机模拟中对至少两种(病毒和宿主蛋白)研究目标具有良好的结合亲和力。其中,头孢他啶和 NADH 显示出最好的多靶点特征,因此有可能降低耐药病毒株的出现。我们还关注了用于开发具有泛冠状病毒活性的化合物的潜在新型药理学靶点。通过对大量病毒基因组序列的分析,本综述提供了人类冠状病毒蛋白保守区域的全面而具体的图谱,这些区域对病毒复制至关重要,因此发生突变的可能性很小或非常小。因此,这些区域是针对该病毒家族的新型化合物的关键靶标。在这方面,确定高效和创新的药理学策略对于当前大流行的治疗和/或预防以及未来不可避免的人类致病性冠状病毒爆发至关重要。