Piperine, an alkaloid of black pepper seeds can effectively inhibit the antiviral enzymes of Dengue and Ebola viruses, a
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ORIGINAL ARTICLE
Piperine, an alkaloid of black pepper seeds can effectively inhibit the antiviral enzymes of Dengue and Ebola viruses, an in silico molecular docking study Anish Nag1 • Rajshree Roy Chowdhury1
Received: 9 May 2020 / Accepted: 25 July 2020 Indian Virological Society 2020
Abstract Ebola and Dengue are the critical diseases caused by RNA viruses, especially in the tropical parts of the globe, including Asia and Africa, and no prominent therapeutic options are available so far. Here, an effort was made to evaluate the efficacy of black pepper (Piper nigrum L.) alkaloid Piperine as a potential drug through computational docking simulation. Eight structurally essential proteins of Dengue and Ebola virus were selected as in silico docking targets for Piperine. Absorption, Distribution, Metabolism, and Excretion profile showed that Piperine was safe and possessed significant drug-like properties. Molecular dynamic simulation and binding free energy calculation showed that Piperine could inhibit Methyltransferase (PDB id 1L9K) of Dengue and VP35 Interferon Inhibitory Domain (PDB id 3FKE) of Ebola virus in comparison with the commercial antiviral Ribavirin. Furthermore, statistical analysis based on multivariate and clustering approaches revealed that Piperine had more affinity towards viral proteins than that of Ribavirin. Keywords Black pepper Piperine In silico docking Ebola Dengue
Introduction Ebola virus, belonging to the family Filoviridae, is an RNA virus known to cause severe hemorrhagic fever in nonhuman primates and humans. Human to Human contact & Anish Nag [email protected] 1
Department of Life Sciences, CHRIST (Deemed to be University), Bangalore, India
through infected body fluids and corpses are the significant sources of transmission of this pathogen and reported to create havoc in West Africa, leading to 11,000 deaths within the year 2013–2016 [19]. Although restricted in Africa so far, it carries a higher risk of transmitting globally through international borders and may pose a severe challenge to humanity in the future. Dengue, on the other hand, is a vector-mediated (Aedes mosquito) arboviral infection that causes fever-like symptoms in the infected person. As per the current report, the rate of Dengue infections is 390 million per year [2], with an estimated mortality of 8.49 million people in the South Asian region [30]. Mortality by Dengue is mostly attributed due to shock, intractable multi-organ failure, or uncontrollable loss of blood [24]. Despite years of extensive research, antiviral drugs against these diseases are in their infancy. Although currently licensed and marketed, vaccines against Dengue have not shown confidence in protection across all age groups and against all serotypes [12]. Corticosteroids and Immunoglobulins are so far non-effective against the Dengue virus [25]. In the case of Ebola, there are few combination therapies, including antiviral and antibiotics such as digoxin, azithromycin, tamoxifen, and ribavirin [7]. Ribavirin was rep
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