4-(3-苯磺酰基吲哚-2-基)-1-(吡啶-2-基)哌嗪基甲酮作为 SARS-CoV-2 和 HCoV-OC43 病毒的强效抑制剂。

IF 4 2区 医学 Q2 CHEMISTRY, MEDICINAL ACS Infectious Diseases Pub Date : 2024-09-13 Epub Date: 2024-08-03 DOI:10.1021/acsinfecdis.4c00108
Michela Puxeddu, Manuela Donalisio, Joachim Jakob Bugert, Angela Corona, Paolo Cocomazzi, Mario Milani, Friederike Hucke, Irene Arduino, Francesca Esposito, Paolo Moretti, Maria Grazia Ortore, Marianna Nalli, Simone Manetto, Giulia Mazzoccanti, Chiara Bigogno, Giulio Dondio, Pietro Sciò, Antonio Coluccia, Matteo Fracella, Guido Antonelli, David Lembo, Enzo Tramontano, Romano Silvestri, Eloise Mastrangelo, Giuseppe La Regina
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引用次数: 0

摘要

SARS-CoV-2 和 HCoV-OC43 同属冠状病毒科β属。SARS-CoV-2 是最近 COVID-19 大流行的罪魁祸首,而 HCoV-OC43 则是轻度上呼吸道感染的病原体。在 COVID-19 大流行期间,在出现呼吸道症状的儿童中发现了 SARS-COV-2 和 HCoV-OC43 合并感染。这两种 β-冠状病毒的 3CLpro 活性位点之间具有高度的同源性,以至于更安全的 HCoV-OC43 被认为是鉴定新的抗 SARS-COV-2 药物的工具。化合物 5 和 24 在 Vero E6 细胞中能有效抑制武汉和英国的 SARS-CoV-2 病人分离株,在低微摩尔浓度下能有效抑制 MRC-5 细胞中的 HCoV-OC43。抑制作用显然是通过靶向这两种病毒的 3CLpro 活性位点产生的。浓度为 100 μM 的化合物 5 和 24 对 SARS-CoV-2 3CLpro 活性的抑制率分别为 61.78% 和 67.30%。这些发现突出表明,5 和 24 是一类新型抗病毒药物的先导化合物,具有治疗 SARS-COV-2 和 HCoV-OC43 感染的潜力。
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4-(3-Phenylsulfonylindol-2-yl)-1-(pyridin-2-yl)piperazinyl-methanones as Potent Inhibitors of both SARS-CoV-2 and HCoV-OC43 Viruses.

SARS-CoV-2 and HCoV-OC43 belong to the same β genus of the Coronaviridae family. SARS-CoV-2 was responsible for the recent COVID-19 pandemic, and HCoV-OC43 is the etiological agent of mild upper respiratory tract infections. SARS-COV-2 and HCoV-OC43 co-infections were found in children with respiratory symptoms during the COVID-19 pandemic. The two β-coronaviruses share a high degree of homology between the 3CLpro active sites, so much so that the safer HCoV-OC43 has been suggested as a tool for the identification of new anti-SARS-COV-2 agents. Compounds 5 and 24 inhibited effectively both Wuhan and British SARS-CoV-2 patient isolates in Vero E6 cells and the HCoV-OC43 in MRC-5 cells at low micromolar concentrations. The inhibition was apparently exerted via targeting the 3CLpro active sites of both viruses. Compounds 5 and 24 at 100 μM inhibited the SARS-CoV-2 3CLpro activity of 61.78 and 67.30%, respectively. These findings highlight 5 and 24 as lead compounds of a novel class of antiviral agents with the potential to treat SARS-COV-2 and HCoV-OC43 infections.

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来源期刊
ACS Infectious Diseases
ACS Infectious Diseases CHEMISTRY, MEDICINALINFECTIOUS DISEASES&nb-INFECTIOUS DISEASES
CiteScore
9.70
自引率
3.80%
发文量
213
期刊介绍: ACS Infectious Diseases will be the first journal to highlight chemistry and its role in this multidisciplinary and collaborative research area. The journal will cover a diverse array of topics including, but not limited to: * Discovery and development of new antimicrobial agents — identified through target- or phenotypic-based approaches as well as compounds that induce synergy with antimicrobials. * Characterization and validation of drug target or pathways — use of single target and genome-wide knockdown and knockouts, biochemical studies, structural biology, new technologies to facilitate characterization and prioritization of potential drug targets. * Mechanism of drug resistance — fundamental research that advances our understanding of resistance; strategies to prevent resistance. * Mechanisms of action — use of genetic, metabolomic, and activity- and affinity-based protein profiling to elucidate the mechanism of action of clinical and experimental antimicrobial agents. * Host-pathogen interactions — tools for studying host-pathogen interactions, cellular biochemistry of hosts and pathogens, and molecular interactions of pathogens with host microbiota. * Small molecule vaccine adjuvants for infectious disease. * Viral and bacterial biochemistry and molecular biology.
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