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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2025 · IF 3.1

Data mining guided affinity ultrafiltration for rapid screening of SARS-CoV-2 3CLpro inhibitors in medicinal herbs

Liqing Wang,Menghan Chen,Hanxue Wang,Qihui Sun,Sujuan Zheng,Xiaoyun Liu,Yong Yang,Rong Rong

Clinical studies have demonstrated that many traditional Chinese medicines (TCM) exhibit not only antiviral effects but also efficacy in alleviating clinical symptoms of Coronavirus Disease 2019 (COVID-19). However, the pharmacologically active constituents responsible for their anti-COVID-19 efficacy remain unclear. This study aimed to establish a novel strategy for identifying active ingredients from herbs clinically used for COVID-19. An integrated approach combining data mining with Affinity Ultrafiltration (AUF) was developed. Initially, using a data mining strategy, high-frequency herbs were selected from the herbs clinically used in COVID-19. Furthermore, AUF technology was used to screen for potential bioactive components from the high-frequency herbs. The anti-COVID-19 potential of active compounds was assessed through enzyme activity assays and molecular docking, followed by validation in cellular and animal models. Data mining revealed that Glycyrrhiza uralensis Fisch., Lonicera japonica Thunb. and Forsythia suspensa (Thunb.) Vahl were the high-frequency herbs used in COVID-19. Five potential 3-Chymotrypsin-like protease (3CL pro ) inhibitors were screened from three herbs via AUF and identified using high-resolution mass spectrometry. Further enzymatic and cellular assays demonstrated that Licochalcone C (LCC) and Forsythiaside A (FTA) inhibited Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) replication at micromolar concentrations. Notably, FTA treatment significantly suppressed the elevation of pulmonary parameters and inflammatory mediators induced by SARS-CoV-2 nucleocapsid protein in mice. In summary, this study proposes a novel strategy integrating data mining with AUF to discover active compounds from TCM. Two components, LCC and FTA, were identified as dose-dependent inhibitors of SARS-CoV-2 Omicron strain replication in vitro.

CAS / MDL: 60940-34-3
研究领域: 药理学 · 病毒学 · 药物化学 · 生物信息学 · 植物学
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ACS Applied Nano Materials · 2024 · IF 5.3

Gold Nanocluster-Based Nanozyme for High-Throughput Colorimetric Detection of SARS-CoV-2

Ke Ma,Meng Yin,Xiao-Xue Wang,Chen-Yu Wang,Ke-Zheng Chen,Sheng-Lin Qiao

There is an urgent need for efficient and convenient methods to detect SARS-CoV-2 as the global pandemic continues. Currently, detection of COVID-19 relies primarily on reverse transcription PCR (RT-PCR), a laboratory-based method that is time-consuming. To tackle this challenge, the study proposes an immediate high-throughput detection platform for SARS-CoV-2. The platform uses a gold nanoenzymatic colorimetric assay that focuses on the specific detection of 3CLpro in SARS-CoV-2. The platform has been extensively characterized for stability, sensitivity, detection range, and response time. The colorimetric detection method not only provides easy-to-read results but also allows color readings to be taken using a smartphone, with accuracy comparable to that of large instruments such as a microplate reader. The innovation of this technology lies in the ability to achieve instant high-throughput detection, which makes rapid detection of SARS-CoV-2 feasible. The proposed detection platform has a wide range of potential applications, particularly in the field of virus detection, providing an efficient and reliable solution for managing current pandemics and future disease prevention and control.

研究领域: 病毒学 · 医学检测 · 纳米生物学
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CARBOHYDRATE POLYMERS · 2021 · IF 9.381

Cocktail polysaccharides isolated from Ecklonia kurome against the SARS-CoV-2 infection

Shihai Zhang,Rongjuan Pei,Meixia Li,Haixia Su,Hao Sun,Yaqi Ding,Minbo Su,Chunfan Huang,Xia Chen,Zhenyun Du,Can Jin,Yi Zang,Jia Li,Yechun Xu,Xinwen Chen,Bo Zhang,Kan Ding

Previous researches suggested that polysaccharides from brown algae had anti-virus activity. We hypothesized that nature polysaccharide from marine plants might have the effect on anti-SARS-CoV-2 activity. By high throughput screening to target 3CLpro enzyme using polysaccharides library, we discover a crude polysaccharide 375 from seaweed Ecklonia kurome blocked 3CLpro enzymatic activity and shows good anti-SARS-CoV-2 infection activity in cell. Further, we show that homogeneous polysaccharide 37502 from the 375 may bind to 3CLpro well and disturb spike protein binding to ACE2 receptor. The structure characterization uncovers that 37502 is alginate. These results imply that the bioactivities of 375 on SARS-CoV-2 may target multiple key molecules implicated in the virus infection and replication. The above results suggest that 375 may be a potential drug candidate against SARS-CoV-2.

研究领域: 海洋生物学 · 药理学 · 病毒学
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ANALYTICAL CHEMISTRY · 2022 · IF 8.008

Simple Nano-Luciferase-Based Assay for the Rapid and High-Throughput Detection of SARS-CoV-2 3C-Like Protease

Jingxin Liu,Chenchen Ge,Ling Zha,Ligen Lin,Rongsong Li

In this study, we described an easy-to-perform nano-luciferase (nLuc) sensor for the rapid detection of 3-chymotrypsin-like protease (3CLpro) encoded by SARS-CoV-2. The technology is based on the cleavage reaction of recombinant-nLuc via 3CLpro. The nLuc-based assay is a general, one-step method and is naturally specific in detection. The stability, sensitivity, detection range, and response time are fully characterized. The application of 3CLpro detection in artificial and human saliva as well as antiviral drug screening demonstrates that the method can quantify 3CLpro with high sensitivity in one step. With its unique features, the nLuc-based assay may find broad applications in the auxiliary diagnosis of SARS-CoV-2, as well as other types of coronavirus infection.

研究领域: 病毒学 · 分子生物学 · 生物技术 · 诊断方法
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