Recognition of Natural Products as Potential Inhibitors of COVID-19 Main Protease (Mpro): In-Silico Evidences
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ORIGINAL ARTICLE
Recognition of Natural Products as Potential Inhibitors of COVID‑19 Main Protease (Mpro): In‑Silico Evidences Rohan R. Narkhede1 · Ashwini V. Pise1 · Rameshwar S. Cheke2 · Sachin D. Shinde3 Received: 16 May 2020 / Accepted: 8 June 2020 © The Author(s) 2020
Abstract SARS-CoV-2 (2019-nCoV) emerged in the back of December 2019 and proliferated rapidly across the globe. Scientists are attempting to investigate antivirals specific to COVID-19 treatment. The 2019-nCoV and SARS-CoV utilize the same receptor of the host which is COVID-19 of the main protease (Mpro).COVID-19 caused by SARS-CoV-2 is burdensome to overcome by presently acquired antiviral candidates. So the objective and purpose of this work was to investigate the plants with reported potential antiviral activity. With the aid of in silico techniques such as molecular docking and druggability studies, we have proposed several natural active compounds including glycyrrhizin, bicylogermecrene, tryptanthrine, β-sitosterol, indirubin, indican, indigo, hesperetin, crysophanic acid, rhein, berberine and β-caryophyllene which can be encountered as potential herbal candidate exhibiting anti-viral activity against SARS-CoV-2. Promising docking outcomes have been executed which evidenced the worthy of these selected herbal remedies for future drug development to combat coronavirus disease. Graphic Abstract
Keywords nCoV-2019 · COVID-19 main protease · Herbal remedies · Docking study · Druggability * Rameshwar S. Cheke [email protected] 1
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Raebareli, Lucknow 226002, India
2
Department of Pharmaceutical Chemistry, Dr. Rajendra Gode College of Pharmacy, Makapur, Maharashtra 443101, India
3
Department of Pharmacology, Shri. R.D. Bhakta College of Pharmacy, Jalna, Maharashtra 431203, India
1 Introduction COVID-19 became a global risk to the healthcare system of almost every nation around the world. In the back of December 2019, a novel coronavirus strain was identified which was initially named as 2019 novel coronavirus (2019nCoV) and it was evolved during an outbreak in Wuhan,
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Hubei province of China [1]. In China, a sudden outbreak was announced by The Emergency Committee of the World Health Organization (WHO) on 30th January, 2020 which was then regarded as Public Health Emergencies of International Concern [2]. Thereafter, the World Health Organization (WHO) has changed the name to coronavirus disease (COVID-19), on 11th February, 2020 [3]. According to the WHO situation report (107) around 35, 88, 773 cases of persons infected with coronaviruses (COVID-19) among which 2, 47, 503 death have been reported [4]. This virus is invading almost every nation of the world which puts a tremendous burden on the researchers and scientists worldwide to develop potential drug candidates to resist COVID-19. There are no specialized treatments are available for the treatment of COVID-19 and several exploration r
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