An updated and comprehensive review of the antiviral potential of essential oils and their chemical constituents with special focus on their mechanism of action against various influenza and coronaviruses

Wani, A. R.; Yadav, Kanchan; Khursheed, Aadil; Rather, Manzoor A.

doi:10.1016/j.micpath.2020.104620

Cited by 162 publications

(111 citation statements)

References 121 publications

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“…Coronaviruses have been listed under a different sub-family (coronavirinae) of family Coronaviridae [ 12 ]. The members of the family Coronaviridae, a monophyletic cluster in the order Nidovirales, are enveloped, positive stranded RNA viruses of three classes of vertebrates: fish (bafiniviruses), birds (coronaviruses) and mammals (toro– and coronaviruses) [ 13 ]. On the study of unrooted and rooted phylogenetic trees projected for variant genomic regions, four different CoV clusters are eminent.…”

Section: Classification Of Coronavirusesmentioning

confidence: 99%

Molecular scaffolds from mother nature as possible lead compounds in drug design and discovery against coronaviruses: A landscape analysis of published literature and molecular docking studies

Khursheed¹,

Jain²,

Rasool

et al. 2021

Microbial Pathogenesis

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The recent outbreak of viral infection and its transmission has highlighted the importance of its slowdown for the safeguard of public health, globally. The identification of novel drugs and efficient therapies against these infectious viruses is need of the hour. The eruption of COVID-19 is caused by a novel acute respiratory syndrome virus SARS-CoV-2 which has taken the whole world by storm as it has transformed into a global pandemic. This lethal syndrome is a global health threat to general public which has already affected millions of people. Despite the development of some potential vaccines and repurposed drugs by some Pharma companies, this health emergency needs more attention due to the less efficacy of these vaccines coupled with the emergence of novel and resistant strains of SARS-CoV-2. Due to enormous structural diversity and biological applications, natural products are considered as a wonderful source of drugs for such diseases. Natural product based drugs constitute a substantial proportion of the pharmaceutical market particularly in the therapeutic areas of infectious diseases and oncology. The naturally occurring bioactive antiviral phytochemicals including alkaloids, flavonoids and peptides have been subjected to virtual screening against COVID-19. Since there is no specific medicine available for the treatment of Covid-19, designing new drugs using in silico methods plays an all important role to find that magic bullet which can target this lethal virus. The in silico method is not only quick but economical also when compared to the other conventional methods which are hit and trial methods. Based on this in silico approach, various natural products have been recently identified which might have a potential to inhibit COVID-19 outbreak. These natural products have been shown by these docking studies to interact with the spike protein of the novel coronavirus. This spike protein has been shown to bind to a transmembrane protein called Angiotensin converting enzyme 2 (ACE2), this protein acts as a receptor for the viral spike protein. This comprehensive review article anticipates providing a summary of the authentic and peer reviewed published literature about the potential of natural metabolites that can be developed into possible lead compounds against this new threat of Covid-19. Main focus of the article will be to highlight natural sources of potential anti-coronavirus molecules, mechanism of action, docking studies and the target proteins as well as their toxicity profiles. This review article intends to provide a starting point for the research endeavors that are needed for the design and development of drugs based on pure natural products, their synthetic or semi-synthetic derivatives and standardized plant extracts. This review article will be highly helpful for scientists who are working or intend to work on antiviral drugs from natural sources.

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Section: Classification Of Coronavirusesmentioning

confidence: 99%

Molecular scaffolds from mother nature as possible lead compounds in drug design and discovery against coronaviruses: A landscape analysis of published literature and molecular docking studies

Khursheed¹,

Jain²,

Rasool

et al. 2021

Microbial Pathogenesis

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“…Many of them play an important and peculiar ecological role in the interaction between plants and the environment, such as participating in plant defence systems (many of them are used as pesticides). In recent years, it has been demonstrated that some terpenoids play an important role in health promoting effects such as antitumor, anti-inflammatory but also antibacterial, antiviral and antimalarial [ [4] , [5] , [6] , [7] ]. Several of them have been experimentally proven to inhibit the effects of severe acute respiratory syndrome coronavirus [ 8 , 9 ], so supporting their interest against SARS-CoV-2 and invoking a drug repositioning of these compounds.…”

Section: Introductionmentioning

confidence: 99%

Interaction of selected terpenoids with two SARS-CoV-2 key therapeutic targets: An in silico study through molecular docking and dynamics simulations

Giofrè

Napoli

Iraci

et al. 2021

Computers in Biology and Medicine

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The outbreak of COVID-19 disease caused by SARS-CoV-2, along with the lack of targeted medicaments, forced the scientific world to search for new antiviral formulations. In the current emergent situation, drug repurposing of well-known traditional and/or approved drugs could be the most effective strategy. Herein, through computational approaches, we aimed to screen 14 natural compounds from limonoids and terpenoids class for their ability to inhibit the key therapeutic target proteins of SARS-CoV-2. Among these, some limonoids, namely deacetylnomilin, ichangin and nomilin, and the terpenoid β-amyrin provided good interaction energies with SARS-CoV-2 3CL hydrolase (Mpro) in molecular dynamic simulation. Interestingly, deacetylnomilin and ichangin showed direct interaction with the catalytic dyad of the enzyme so supporting their potential role in preventing SARS-CoV-2 replication and growth. On the contrary, despite the good affinity with the spike protein RBD site, all the selected phytochemicals lose contact with the amino acid residues over the course of 120ns-long molecular dynamics simulations therefore suggesting they scarcely can interfere in SARS-CoV-2 binding to the ACE2 receptor. The in silico analyses of docking score and binding energies, along with predicted pharmacokinetic profiles, indicate that these triterpenoids might have potential as inhibitors of SARS-CoV-2 Mpro, recommending further in vitro and in vivo investigations for a complete understanding and confirmation of their inhibitory potential.

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“…The EOs can be obtained from various plant species and are not only fundamental in the production of perfumes, essences in the cosmetic industries and additives in the food industries sector, but they are also useful in medicinal treatments. They show a wide range of biological properties such as antioxidant, antiseptic, expectorant, stomatic, anti‐inflammatory, analgesic, and anesthetics besides many other properties [11] . Acheflan® is an example of a topical anti‐inflammatory Brazilian medicine based on the EO of Cordia verbenacea , commercialized in Brazil, the USA, Canada, and Japan, that highlights the potential application of EOs in industry [12] …”

Section: Introductionmentioning

confidence: 99%

Chemical Composition of Magonia pubescens Essential Oils and Gamma‐Radiation Effects on Its Constituents and Cytotoxic Activity in Leukemia and Breast Cancer Model

Moraes

Camargo

Mercadante-Simões

et al. 2021

Chemistry & Biodiversity

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Magonia pubescens A. St.‐Hil. is a Brazilian species often used in ethnopharmacology for wound and pain healing and seborrhea treatment. For the first time, essential oils (EOs) obtained from M. pubescens inflorescences were studied. The plant materials (Montes Claros, Brazil, 2018) were submitted to different gamma‐radiation doses and their chemical compositions were analyzed by GC/MS and GC‐FID. The cytotoxic activity of the EOs was evaluated against K562 and MDA‐MB‐231 cancer cell lines. A total of 30 components were identified, being 24 compounds detected for the first time in M. pubescens. The main obtained components were hotrienol (35.9 %), cis‐linalool oxide (17.0 %) and trans‐linalool oxide (10.2 %). The chemical composition of the EO was slightly affected by the applied radiation doses. Irradiated and non‐irradiated EOs showed cytotoxic activity against both cell lines and the non‐irradiated EO sample was the most active against the K562 cell lines (IC50=22.10±1.98).

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An updated and comprehensive review of the antiviral potential of essential oils and their chemical constituents with special focus on their mechanism of action against various influenza and coronaviruses

Cited by 162 publications

References 121 publications

Molecular scaffolds from mother nature as possible lead compounds in drug design and discovery against coronaviruses: A landscape analysis of published literature and molecular docking studies

Molecular scaffolds from mother nature as possible lead compounds in drug design and discovery against coronaviruses: A landscape analysis of published literature and molecular docking studies

Interaction of selected terpenoids with two SARS-CoV-2 key therapeutic targets: An in silico study through molecular docking and dynamics simulations

Chemical Composition of Magonia pubescens Essential Oils and Gamma‐Radiation Effects on Its Constituents and Cytotoxic Activity in Leukemia and Breast Cancer Model

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