Conv. Plasma
Nigella Sativa
Peg.. Lambda

All nigella sativa studies
Meta analysis
Home COVID-19 treatment researchNigella SativaNigella Sativa (more..)
Melatonin Meta
Bromhexine Meta Metformin Meta
Budesonide Meta
Cannabidiol Meta Molnupiravir Meta
Colchicine Meta
Conv. Plasma Meta
Curcumin Meta Nigella Sativa Meta
Ensovibep Meta Nitazoxanide Meta
Famotidine Meta Paxlovid Meta
Favipiravir Meta Peg.. Lambda Meta
Fluvoxamine Meta Quercetin Meta
Hydroxychlor.. Meta Remdesivir Meta
Ivermectin Meta
Lactoferrin Meta

All Studies   Meta Analysis   Recent:  

Identification of SARS-CoV-2 RNA-dependent RNA polymerase inhibitors from the major phytochemicals of Nigella sativa: An in silico approach

Mir et al., Saudi Journal of Biological Sciences, doi:10.1016/j.sjbs.2021.09.002
Sep 2021  
  Source   PDF   All Studies   Meta AnalysisMeta
In Silico study identifying phytochemicals from nigella sativa (𝛼-hederin, dithymoquinone, negillicine, and negillidine) as potential SARS-CoV-2 RNA-dependent RNA polymerase inhibitors.
Mir et al., 8 Sep 2021, peer-reviewed, 11 authors.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
All Studies   Meta Analysis   Submit Updates or Corrections
This PaperNigella SativaAll
Identification of SARS-CoV-2 RNA-dependent RNA polymerase inhibitors from the major phytochemicals of Nigella sativa: An in silico approach
Shabir Ahmad Mir, Ahmad Firoz, Mohammed Alaidarous, Bader Alshehri, Abdul Aziz Bin Dukhyil, Saeed Banawas, Suliman A Alsagaby, Wael Alturaiki, Gulzar Ahmad Bhat, Faizan Kashoo, Ahmad M Abdel-Hadi
Saudi Journal of Biological Sciences, doi:10.1016/j.sjbs.2021.09.002
The coronavirus disease 2019 , which emerged in December 2019, continues to be a serious health concern worldwide. There is an urgent need to develop effective drugs and vaccines to control the spread of this disease. In the current study, the main phytochemical compounds of Nigella sativa were screened for their binding affinity for the active site of the RNA-dependent RNA polymerase (RdRp) enzyme of the severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2). The binding affinity was investigated using molecular docking methods, and the interaction of phytochemicals with the RdRp active site was analyzed and visualized using suitable software. Out of the nine phytochemicals of N. sativa screened in this study, a significant docking score was observed for four compounds, namely a-hederin, dithymoquinone, nigellicine, and nigellidine. Based on the findings of our study, we report that a-hederin, which was found to possess the lowest binding energy (-8.6 kcal/mol) and hence the best binding affinity, is the best inhibitor of RdRp of SARS-CoV-2, among all the compounds screened here. Our results prove that the top four potential phytochemical molecules of N. sativa, especially a-hederin, could be considered for ongoing drug development strategies against SARS-CoV-2. However, further in vitro and in vivo testing are required to confirm the findings of this study.
Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Aftab, Ghouri, Masood, Haider, Khan et al., Analysis of SARS-CoV-2 RNA-dependent RNA polymerase as a potential therapeutic drug target using a computational approach, J. Transl. Med, doi:10.1186/s12967-020-02439-0
Ahmad, Abbasi, Shahid, Gul, Abbasi, Molecular docking, simulation and MM-PBSA studies of Nigella sativa compounds: A computational quest to identify potential natural antiviral for COVID-19 treatment, J. Biomol. Struct. Dyn, doi:10.1080/07391102.2020.1775129
Ahmad, Husain, Mujeeb, Khan, Najmi et al., A review on therapeutic potential of Nigella sativa: A miracle herb, Asian Pac. J. Trop. Biomed, doi:10.1016/S2221-1691(13)60075-1
Ahn, Choi, Taylor, Oh, Biochemical characterization of a recombinant SARS coronavirus nsp12 RNA-dependent RNA polymerase capable of copying viral RNA templates, Arch. Virol, doi:10.1007/s00705-012-1404-x
Akram Khan, Afzal, Chemical composition of Nigella sativa Linn: Part 2 Recent advances, Inflammopharmacology, doi:10.1007/s10787-016-0262-7
Ardra, Singh, Hariprasad, Babu, Rafiq et al., Potential phytochemical inhibitors of the coronavirus RNA-dependent RNA polymerase: A molecular docking study, Res. Sq, doi:10.21203/
Barakat, El Wakeel, Hagag, Effects of Nigella sativa on outcome of hepatitis C in Egypt, World J. Gastroenterol, doi:10.3748/wjg.v19.i16.2529
Barakat, Shoman, Dina, Alfarouk, Antiviral activity and mode of action of Dianthus caryophyllus L. and Lupinustermes L. seed extracts against in vitro herpes simplex and hepatitis: A viruses infection, J. Microbiol. Antimicrob, doi:10.5897/JMA.9000011
Bouchentouf, Noureddine, Identification of compounds from Nigella sativa as new potential inhibitors of 2019 novel coronavirus (COVID-19), doi:10.26434/chemrxiv.12055716.v1
Chan, Yuan, Kok, To, Chu et al., A familial cluster of pneumonia associated with the 2019 novel coronavirus indicating person-toperson transmission: A study of a family cluster, Lancet, doi:10.1016/S0140-6736(20)30154-9
Daryabeygi-Khotbehsara, Golzarand, Ghaffari, Djafarian, Nigella sativa improves glucose homeostasis and serum lipids in type 2 diabetes: A systematic review and meta-analysis, Complement. Ther. Med, doi:10.1016/j.ctim.2017.08.016
Delano, Pymol: An open-source molecular graphics tool, CCP4 Newsl on Protein Crystallogr
Dorra, El-Berrawy, Sallam, Mahmoud, Evaluation of antiviral and antioxidant activity of selected herbal extracts, J. High. Inst. Public. Heal, doi:10.21608/jhiph.2019.29464
Doublié, Ellenberger, The mechanism of action of T7 DNA polymerase, Curr. Opin. Struct. Biol, doi:10.1016/S0959-440X(98)80089-4
Elfiky, Anti-HCV, nucleotide inhibitors, repurposing against COVID-19, Life Sci, doi:10.1016/j.lfs.2020.117477
Elfiky, Elfiky, Ribavirin, remdesivir, sofosbuvir, galidesivir, and tenofovir against SARS-CoV-2 RNA-dependent RNA polymerase (RdRp): A molecular docking study, J. Biomol. Struct. Dyn, doi:10.1080/07391102.2020.1761881
Elfiky, Elshemey, Gawad, Desoky, Molecular modeling comparison of the performance of NS5b polymerase inhibitor (PSI -7977) on prevalent HCV genotypes, Protein J, doi:10.1007/s10930-013-9462-9
Elfiky, Elshemey, IDX -184 is a superior HCV direct-acting antiviral drug: A QSAR study, Med. Chem. Res, doi:10.1007/s00044-016-1533-y
Elfiky, Elshemey, Molecular dynamics simulation revealed binding of nucleotide inhibitors to ZIKV polymerase over 444 nanoseconds, J. Med. Virol, doi:10.1002/jmv.v90.110.1002/jmv.24934
Elfiky, Ismail, Molecular docking revealed the binding of nucleotide/side inhibitors to Zika viral polymerase solved structures, SAR QSAR Environ Res, doi:10.1080/1062936X.2018.1454981
Elfiky, Ismail, Molecular dynamics and docking reveal the potency of novel GTP derivatives against RNA-dependent RNA polymerase of genotype 4a HCV, Life Sci, doi:10.1016/j.lfs.2019.116958
Elfiky, Ismail, Molecular modeling and docking revealed superiority of IDX-184 as HCV polymerase inhibitor, Future Virol, doi:10.2217/fvl-2017-0027
Elfiky, Novel guanosine derivatives as anti-HCV NS5b polymerase: A QSAR and molecular docking study, Med. Chem, doi:10.2174/1573406414666181015152511
Elfiky, SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective, Journal of Biomolecular Structure and Dynamics, doi:10.1080/07391102.2020.1761882
Elfiky, Zika viral polymerase inhibition using anti-HCV drugs both in market and under clinical trials, J. Med. Virol, doi:10.1002/jmv.v88.1210.1002/jmv.24678
Elfiky, Zika virus: Novel guanosine derivatives revealed strong binding and possible inhibition of the polymerase, Future Virol, doi:10.2217/fvl-2017-0081
Ganesan, Barakat, Applications of computer-aided approaches in the development of hepatitis C antiviral agents, Expert Opin. Drug Discover, doi:10.1080/17460441.2017.1291628
Goodsell, Olson, Automated docking of substrates to proteins by simulated annealing, Proteins, doi:10.1002/prot.340080302
He, Xu, The influency of Nigella sativa for asthma control: A metaanalysis, Am. J. Emerg. Med, doi:10.1016/j.ajem.2019.11.036
Hui, Azhar, Madani, Ntoumi, Kock et al., The continuing 2019-nCoV epidemic threat of novel coronaviruses to global health -The latest 2019 novel coronavirus outbreak in Wuhan. China, Int. J. Infect. Dis, doi:10.1016/j.ijid.2020.01.009
Iheagwam, Rotimi, Computer-aided analysis of multiple SARS-CoV-2 therapeutic targets: Identification of potent molecules from African medicinal plants, Scientifica, doi:10.1155/2020/1878410
Kirchdoerfer, Ward, Structure of the SARS-CoV nsp12 polymerase bound to nsp7 and nsp8 co-factors, Nat. Commun, doi:10.1038/s41467-019-10280-3
Koshak, Wei, Koshak, Wali, Alamoudi et al., Nigella sativa supplementation improves asthma control and biomarkers: A randomized, double-blind, placebocontrolled trial, Phys. Ther. Res, doi:10.1002/ptr.5761
Luk, Li, Fung, Lau, Woo, Molecular epidemiology, evolution and phylogeny of SARS coronavirus, Infect. Genet. Evol, doi:10.1016/j.meegid.2019.03.001
Maiti, Banerjee, Nazmeen, Kanwar, Das, Active-site Molecular docking of Nigellidine with nucleocapsid-NSP2-MPro of COVID-19 and to human IL1R-IL6R and strong antioxidant role of Nigella-sativa in experimental rats, J Drug Target, doi:10.1080/1061186X.2020.1817040
Majeed, Muhammad, Ahmad, Rehmanullah, Hayat et al., Nigella sativa L.: Uses in traditional and contemporary medicines-An overview, Acta. Ecol. Sin, doi:10.1016/j.chnaes.2020.02.001
Mali, Pratap, Thorat, The rise of new coronavirus infection-(COVID-19): A recent update, Eur. J. Med. Oncol, doi:10.14744/ejmo.2020.22222
Mazaheri, Torbati, Azadmard-Damirchi, Savage, A comprehensive review of the physicochemical, quality, and nutritional properties of Nigella sativa oil, Food Rev. Int, doi:10.1080/87559129.2018.1563793
Molla, Azad, Hasib, Hossain, Ahammed et al., A review on antiviral effects of nigella sativa L, Pharmacol. OnLine
Namazi, Larijani, Ayati, Abdollahi, The effects of Nigella sativa L. on obesity: A systematic review and meta-analysis, J. Ethnopharmacol, doi:10.1016/j.jep.2018.03.001
O'boyle, Banck, James, Morley, Vandermeersch et al., Open Babel: An Open chemical toolbox, J. Cheminform, doi:10.1186/1758-2946-3-33
Onifade, Jewell, Adedeji, Nigella sativa concoction induced sustained seroreversion in HIV patient, Afr. J. Tradit. Complement. Altern. Med, doi:10.4314/ajtcam.v10i5.18
Onifade, Jewell, Ajadi, Rahamon, Ogunrin, Effectiveness of a herbal remedy in six HIV patients in Nigeria, J. Herb. Med, doi:10.1016/j.hermed.2013.04.006
Oyero, Toyama, Mitsuhiro, Onifade, Hidaka et al., Selective inhibition of hepatitis C virus replication by alpha-zam, a nigella sativa seed formulation, Afr. J. Tradit. Complement. Altern. Med, doi:10.21010/ajtcam.v13i6.20
Patwardhan, Chavan-Gautam, Gautam, Tillu, Chopra et al., Ayurveda rasayana in prophylaxis of COVID-19, Curr. Sci
Rajapaksa, Perera, Nisansala, Perera, Dissanayake, Potential of inhibiting the receptor binding mechanism of sarscov-2 using phytochemical extracts of medicinal herb; moleculer docking study, Glob. J. Eng. Sci. Res. Manag, doi:10.5281/zenodo.3766184
Rastogi, Pandey, Singh, COVID-19 pandemic: A pragmatic plan for ayurveda intervention, J. Ayurveda Integr. Med, doi:10.1016/j.jaim.2020.04.002
Sahebkar, Beccuti, Simental-Mendía, Nobili, Bo, Nigella sativa (black seed) effects on plasma lipid concentrations in humans: A systematic review and meta-analysis of randomized placebo-controlled trials, Pharmacol. Res, doi:10.1016/j.phrs.2016.02.008
Sahebkar, Soranna, Liu, A systematic review and metaanalysis of randomized controlled trials investigating the effects of supplementation with Nigella sativa (black seed) on blood pressure, J. Hypertens, doi:10.1016/j.clnu.2013.09.012
Salem, Hossain, Protective effect of black seed oil from Nigella sativa against murine cytomegalovirus infection, Int J Immunopharmacol, doi:10.1016/S0192-0561(00)00036-9
Sampangi-Ramaiah, Vishwakarma, Shaanker, Molecular docking analysis of selected natural products from plants for inhibition of SARS-CoV-2 main protease, Curr. Sci, doi:10.18520/cs/v118/i7/1087-109
Sekiou, Ismail, Zihad, Abdelhak, In-silico identification of potent inhibitors of COVID-19 main protease (Mpro) and Angiotensin Converting Enzyme 2 (ACE2) from Natural Products: Quercetin, doi:10.26434/chemrxiv.12181404.v1
Shityakov, Foerster, In silico predictive model to determine vectormediated transport properties for the blood-brain barrier choline transporter, Adv. Appl. Bioinform. Chem, doi:10.2147/AABC.S63749
Silva, Figueiredo, Byler, Setzer, Essential oils as antiviral agents. Potential of essential oils to treat SARS-CoV-2 infection: An insilico investigation, Int. J. Mol. Sci, doi:10.3390/ijms21103426
Subissi, Posthuma, Collet, Zevenhoven-Dobbe, Gorbalenya et al., One severe acute respiratory syndrome coronavirus protein complex integrates processive RNA polymerase and exonuclease activities, Proc. Natl. Acad. Sci. U. S. A, doi:10.1073/pnas.1323705111
Tavakkoli, Mahdian, Razavi, Hosseinzadeh, Review on clinical trials of black seed (Nigella sativa) and its active constituent, thymoquinone, J. Pharmacopuncture, doi:10.3831/KPI.2017.20.021
Trott, Olson, AutoDockVina: Improving the speed and accuracy of docking with a new scoring function, ecient optimization, and multithreading, J. Comput. Chem, doi:10.1002/jcc.21334
Ulasli, Gurses, Bayraktar, Yumrutas, Oztuzcu et al., The effects of Nigella sativa (Ns), Anthemishyalina (Ah) and Citrus sinensis (Cs) extracts on the replication of coronavirus and the expression of TRP genes family, Mol. Biol. Rep, doi:10.1007/s11033-014-3019-7
V'kovski, Kratzel, Steiner, Stalder, Thiel, Coronavirus biology and replication: implications for SARS-CoV-2, Nat. Rev. Microbiol, doi:10.1038/s41579-020-00468-6
Vardhan, Sahoo, Searching inhibitors for three important proteins of COVID-19 through molecular docking studies
Yimer, Tuem, Karim, Ur-Rehman, Anwar, Nigella sativa L. (Black Cumin): A Promising Natural Remedy for Wide Range of Illnesses, Evid Based Complement Alternat Med, doi:10.1155/2019/1528635
Yin, Mao, Luan, Shen, Shen et al., Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir, Science, doi:10.1126/science:abc1560
Please send us corrections, updates, or comments. Vaccines and treatments are complementary. All practical, effective, and safe means should be used based on risk/benefit analysis. No treatment, vaccine, or intervention is 100% available and effective for all current and future variants. We do not provide medical advice. Before taking any medication, consult a qualified physician who can provide personalized advice and details of risks and benefits based on your medical history and situation. FLCCC and WCH provide treatment protocols.
  or use drag and drop