An updated literature-based review: phytochemistry, pharmacology and therapeutic promises of Nigella sativa L.

Islam, Muhammad Torequl; Khan, Md. Roich; Mishra, Siddhartha

doi:10.1007/s13596-019-00363-3

Cited by 37 publications

(29 citation statements)

References 135 publications

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“…Active ingredients of N. sativa reported in several studies are dithymoquinone (DTQ), thymoquinone (TQ), thymol, thymohydroquinone (THQ), p-cymene, 4-terpineol, and t-anethole. N. sativa seeds also contain other ingredients such as vitamins, mineral elements, carbohydrates, fats, proteins, and essential amino acids (Ahmad et al, 2013;Al-Jassir, 1992;Bhatia & Bajaj, 1972;Chun et al, 2002;Correa et al, 1986;Islam et al, 2019;Majeed et al, 2020;Omar et al, 1999). Bioactive compounds used in the current study are shown in Figure 1.…”

Section: Nigella Sativa and Derived Compoundsmentioning

confidence: 99%

Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment

Ahmad

Abbasi

Shahid

et al. 2020

Journal of Biomolecular Structure and Dynamics

107

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Nigella sativa or black seed is used as a medicinal plant around the globe. Oil and seeds have a long tradition of folklore use in various medicinal and food systems. The conventional therapeutic use of Nigella sativa, in different ways, has been reported in several studies to treat different diseases including influenza, headache, hypertension, diabetes, inflammation, eczema, fever, cough, asthma, bronchitis, and fever. Based on previously reported potential therapeutic uses of N. sativa compounds, and keeping in mind the dire need of time for the development of potent antiviral, a combined docking, ADMET properties calculation, molecular dynamics, and MM-PBSA approaches were applied in the current study to check the therapeutic potentials of N. sativa chief constituents against COVID-19. Among the studied compounds, we found that dithymoquinone (DTQ), with binding affinity of À8.6 kcal/mol compared to a positive control (chloroquine, À7.2 kcal/mol) , has the high potential of binding at SARS-CoV-2:ACE2 interface and thus could be predicted as a plausible inhibitor to disrupt viral-host interactions. Molecular dynamics simulation of 100 ns well complemented binding affinity of the compound and revealed strong stability of DTQ at the docked site. Additionally, MM-PBSA also affirms the docking results. Compound DTQ of the present study, if validated in wet lab experiments, could be used to treat COVID-19 and could serve as a lead in the future for development of more effective natural antivirals against COVID-19.

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Section: Nigella Sativa and Derived Compoundsmentioning

confidence: 99%

Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment

Ahmad

Abbasi

Shahid

et al. 2020

Journal of Biomolecular Structure and Dynamics

107

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“…TF_01-TF_40 (Han et al, 2001;Omezzine et al, 2017;Yoshikawa et al, 1997) 8 Nigella/Kalonji/ Black cumin Nigella sativa L. (Ranunculaceae) NS_01-NS_120 (Ahmad et al, 2013;Islam et al, 2019;Kokoska et al, 2008;Mukhtar et al, 2019;Srinivasan, 2018) 9 Cumin (Zeera) Cuminum cyminum L. (Apiaceae) CC_01-CC_104 (Gachkar et al, Amin, 2012;Gohari & Saeidnia, 2011;Hajlaoui et al, 2010;Li & Jiang, 2004;Mandal & Mandal, 2016;Oroojalian et al, 2010;Singh et al, 2017;Topal et al, 2008) 10 Peppermint Mentha piperita L. (Lamiaceae) MP_01-MP_93 (Brahmi et al, 2017;Reddy et al, 2019;Saharkhiz et al, 2012;Sokovi c et al, 2009) Schrodinger 2020 (LigPrep, Schr€ odinger, LLC, New York, NY, 2020) with default parameters and used for Virtual Screening (VS). The top 16 hits resulted against main protease and 14 hits resulted against spike receptor were exported as pdb format.…”

Section: Ligand Preparationmentioning

confidence: 99%

Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and molecular dynamic study

Sen¹,

Debnath

et al. 2020

Journal of Biomolecular Structure and Dynamics

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The outbreak of novel coronavirus disease (COVID-19) caused by SARS-CoV-2 poses a serious threat to human health and world economic activity. There is no specific drug for the treatment of COVID-19 patients at this moment. Traditionally, people have been using spices like ginger, fenugreek and onion, etc. for the remedy of a common cold. This work identifies the potential inhibitors of the main protease (M pro) and spike (S) receptor of SARS-CoV-2 from 10 readily available spices. These two proteins, S and M pro , play an important role during the virus entry into the host cell, and replication and transcription processes of the virus, respectively. To identify potential molecules an in-house databank containing 1040 compounds was built-up from the selected spices. Structure-based virtual screening of this databank was performed with two important SARS-CoV-2 proteins using Glide. Top hits resulted from virtual screening (VS) were subjected to molecular docking using AutoDock 4.2 and AutoDock Vina to eliminate false positives. The top six hits against M pro and top five hits against spike receptor subjected to 130 ns molecular dynamic simulation using GROMACS. Finally, the compound 1-, 2-, 3and 5-M pro complexes, and compound 17-, 18-, 19-, 20and 21spike receptor complexes showed stability throughout the simulation time. The ADME values also supported the drug-like nature of the selected hits. These nine compounds are available in onion, garlic, ginger, peppermint, chili and fenugreek. All the spices are edible and might be used as home remedies against COVID-19 after proper biological evaluation.

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“…Histopathology of NS taking birds was normal because NS have different types of pharmacologically active substances like thymol, dithymoquinone, thymoquinone, carvacrol, alphahedrin, nigellicine-N-oxide and nigellidine. These substances are effective in the treatment of various ailments and proved to be beneficial in improving immunity [72]. Nigella sativa is one of the most valued medicinal seeds in the history [73].…”

Section: Discussionmentioning

confidence: 99%

Response of Lymphatic Tissues to Dietary Supplementation of Nigella Sativa and Curcuma Longa in Broilers Challenged with <em>Pasteurella Multocida</em>

Ma¹,

Jiangang²,

Yin³

et al. 2020

Preprint

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The antibiotic residues and pathogenic resistance against the drug are very common in poultry due to usage of antibiotics in their feed. It is the need of the time to use natural feed additives as effective alternatives instead of synthetic antibiotic. The aim of this study was to investigate the immune response of Nigella sativa and Curcuma longa in broilers under biological stress against Pasteurella multocida. The total 100, one-day old chicks were divided into 5 groups. The Groups 1 and 2 were served as control negative and control positive. Both control groups were receiving simple diet without any natural feed additives but infection was given in Group 2 at day 28 with the dose of 5.14×107 CFU by IV. Groups 3A & 3B were offered 2% seed powder of Nigella sativa, Groups 4A & 4B were offered Curcuma longa 1% in powdered form and Group 5A & 5B were offered both Curcuma longa 1% & Nigella sativa 2% in feed from day 1 and groups 3B, 4B and 5B were challenged with Pasteurella multocida. The Haemagglutination inhibition titter against Newcastle Disease Virus (NDV), feed conversion ratio, mortality, gross and histopathology were studied. The results of this study revealed that haemagglutination inhibition titers against NDV were highly significant (P< 0.05) in treated groups, highest titers (3A 6.8, 3B 6.4 and 5A 7.2) were obtained from treated Group. The feed conversion ratio (FCR) of Nigella sativa + Curcuma longa treated Groups (5A 1.57 and 3A 1.76) were higher as compared to other non-treated groups. The gross and histopathological changes were much severe in control positive, but less changes were seen in treated groups. Therefore, we recommend that natural feed additives; black cumin (Nigella sativa) and turmeric (Curcuma longa) act as immune enhancer in broilers against Pasteurella multocida.

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An updated literature-based review: phytochemistry, pharmacology and therapeutic promises of Nigella sativa L.

Cited by 37 publications

References 135 publications

Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment

Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment

Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and molecular dynamic study

Response of Lymphatic Tissues to Dietary Supplementation of Nigella Sativa and Curcuma Longa in Broilers Challenged with <em>Pasteurella Multocida</em>

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