Pyridine Derivatives as Potential Inhibitors for Coronavirus SARS-CoV-2: A Molecular Docking Study

被引:2
作者
Karthick, Kamaraj [1 ]
Swarnalatha, Kalaiyar [1 ]
机构
[1] Manonmaniam Sundaranar Univ, Dept Chem, Photochem Res Lab, Tirunelveli 627012, Tamil Nadu, India
来源
BIOINFORMATICS AND BIOLOGY INSIGHTS | 2023年 / 17卷
关键词
Coronavirus SARS-CoV-2; pyridine derivatives; molecular docking; SPIKE;
D O I
10.1177/11779322221146651
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Coronavirus SARS-CoV-2, a causative agent for the global epidemic disease COVID-19, which has a highest modality rate. Several initiatives have been undertaken to repurpose current antiviral medications and tested the classic pyridine derivatives (PyDev), which have showed substantial therapeutic potential against a variety of illnesses and also have several biological functions such as, antibacterial, antiviral, and anti-inflammatory. However, limited reports are available for the treatment of Coronavirus SARS-CoV-2 using PyDev. Hence, the possibilities of the best-described PyDev molecules of powerful Coronavirus SARS-CoV-2 inhibitors have been attempted in this investigation. This study primarily focused on blocking four key targets of Coronavirus SARS-CoV-2 proteins. Terpyridine has shown the greatest inhibitory potential (with a binding energy of -8.8 kcal/mol) against all four coronavirus targets. This study results would pave the potential lead medication for Coronavirus SARS-CoV-2 therapeutic strategies.
引用
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页数:10
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