The following Molecular Docking Studies examine components of SARS-CoV-2, the virus that causes Covid-19, and reports various drugs and natural compounds that may be effective inhibitors of the viral component. This is very preliminary research.
A List of 175 Covid-19 Molecular Docking Studies
1. Alabboud, Michael, and Ali Javadmanesh. “In silico study of various antiviral drugs, vitamins, and natural substances as potential binding compounds with SARS-CoV-2 main protease.” DYSONA-Life Science (2020): 44-63.
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2. Choudhury, Shuvasish, et al. “In search of drugs to counter the countermeasures of SARS-CoV-2 in evading host’s innate immune defense: a Molecular modeling approach.” (2020).
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3. Garabato, Brady D., Federico Falchi, and Andrea Cavalli. “COVID-19 Repurposed Therapeutics Targeting the Viral Protease and Spike-protein: ACE2 Interface using MD-based Pharmacophore and Consensus Virtual Screening.”
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4. Joshi, T., et al. “In silico screening of natural compounds against COVID-19 by targeting Mpro and ACE2 using molecular docking.” European Review for Medical and Pharmacological Sciences 24 (2020): 4529-4536.
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5. Pendyala, Brahmaiah, and Ankit Patras. “In silico Screening of Food Bioactive Compounds to Predict Potential Inhibitors of COVID-19 Main protease (Mpro) and RNA-dependent RNA polymerase (RdRp).” (2020).
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6. Verma, Dipesh, et al. “Potential inhibitors of SARS-CoV-2 Main protease (Mpro) identified from the library of FDA approved drugs using molecular docking studies.” (2020).
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7. Wu, Canrong, et al. “Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods.” Acta Pharmaceutica Sinica B (2020).
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8. Anwar, Muhammad Umer, et al. “Combined Deep Learning and Molecular Docking Simulations Approach Identifies Potentially Effective FDA Approved Drugs for Repurposing Against SARS-CoV-2.” (2020).
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9. Mittal, Lovika, et al. “Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach.” Journal of Biomolecular Structure and Dynamics just-accepted (2020): 1-26.
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10. Shankar, Uma, et al. “Potential drugs targeting Nsp16 protein may corroborates a promising approach to combat SARS-CoV-2 virus.” (2020).
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11. Bank, Sarbashri, et al. “In-silico analysis of potential interaction of drugs and the SARS-CoV-2 spike protein.” (2020).
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12. Narayanan, Naveen, and Deepak T. Nair. “Vitamin B12 may inhibit RNA-dependent-RNA polymerase activity of nsp12 from the SARS-CoV-2 Virus.” Preprints.org (2020).
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13. Kumar, V., and M. Jena. “In silico virtual screening-based study of nutraceuticals predicts the therapeutic potentials of folic acid and its derivatives against COVID-19.” (2020).
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14. Subbaiyan, Anbazhagan, et al. “In silico Molecular Docking Analysis Targeting SARS-CoV-2 Spike Protein and Selected Herbal Constituents.” J. Pure Appl. Microbiol 14 (2020).
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15. Maiti, Smarajit, and Amrita Banerjee. “Epigallocatechin-Gallate and Theaflavin-Gallate Interaction in SARS CoV-2 Spike-Protein Central-Channel with Reference to the Hydroxychloroquine Interaction: Bioinformatics and Molecular Docking Study.” (2020).
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16. Sharma, Shilpa, and Shashank Deep. “In-silico drug repurposing for targeting SARS-CoV-2 Mpro.” (2020).
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17. Bhowmik, Deep, Rajat Nandi, and Diwakar Kumar. “Evaluation of flavonoids as 2019-nCoV cell entry inhibitor through molecular docking and pharmacological analysis.” (2020).
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18. Tallei, Trina Ekawati, et al. “Potential of Plant Bioactive Compounds as SARS-CoV-2 Main Protease (Mpro) and Spike (S) Glycoprotein Inhibitors: A Molecular Docking Study.” (2020).
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19. Barros, Romulo O., et al. “Interaction of drugs candidates with various SARS-CoV-2 receptors: an in silico study to combat COVID-19.” (2020).
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20. Khan, Mohammad Faheem, et al. “Identification of Dietary Molecules as Therapeutic Agents to Combat COVID-19 Using Molecular Docking Studies.” (2020).
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21. Das, Sourav, et al. “An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study.” Journal of Biomolecular Structure and Dynamics just-accepted (2020): 1-18.
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22. Gurung, Arun Bahadur, et al. “Unravelling lead antiviral phytochemicals for the inhibition of SARS-CoV-2 Mpro enzyme through in silico approach.” Life Sciences (2020): 117831.
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23. Singh, Satyam, Avinash Sonawane, and Sushabhan Sadhukhan. “Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 via RNA‐dependent RNA polymerase (RdRp) inhibition: An in-silico analysis.” (2020).
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24. Zhou, Guangfeng, et al. “Computational Drug Repurposing Studies on SARS-CoV-2 Protein Targets.” (2020).
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25. Peterson, Leif. “COVID-19 and Flavonoids: In Silico Molecular Dynamics Docking to the Active Catalytic Site of SARS-CoV and SARS-CoV-2 Main Protease.” Available at SSRN 3599426 (2020).
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26. Farshi, Parastou, et al. “A comprehensive review on the effect of plant metabolites on coronaviruses: focusing on their molecular docking score and IC50 values.” (2020).
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27. Cherrak, Sabri Ahmed, Hafida Merzouk, and Nassima Mokhtari-Soulimane. “Potential Bioactive glycosylated flavonoids as SARS-CoV-2 Main protease Inhibitors: A molecular Docking Study.”
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28. Khandelwal, Alisha, and Tripti Sharma. “Computational Screening of Phytochemicals from Medicinal plants as COVID-19 Inhibitors.” (2020).
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29. Saadat, Shoab, et al. “Structure based drug discovery by virtual screening of 3699 compounds against the crystal structures of six key SARS-CoV-2 proteins.” (2020).
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30. Wang, Zhihao, et al. “Repurposing the Natural Compound for Antiviral During an Epidemic-a Case Study on the Drug Repurpose of Natural Compounds to Treat COVID-19.” (2020).
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31. Nallusamy, Saranya, et al. “Shortlisting Phytochemicals Exhibiting Inhibitory Activity against Major Proteins of SARS-CoV-2 through Virtual Screening.” (2020).
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32. Ahmed, Mohamed. “Natural compounds from Djiboutian Medicinal plants as inhibitors of COVID-19 by In silico investigations.” (2020).
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33. Latha, N., and M. Pandit. “In silico studies reveal potential antiviral activity of phytochemicals from medicinal plants for the treatment of COVID-19 infection.” (2020).
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34. Adem, Sevki, et al. “Identification of potent COVID-19 main protease (Mpro) inhibitors from natural polyphenols: An in silico strategy unveils a hope against CORONA.” (2020).
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35. Lung, Jrhau, et al. “The potential chemical structure of anti‐SARS‐CoV‐2 RNA‐dependent RNA polymerase.” Journal of Medical Virology 92.6 (2020): 693-697.
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36. Manish, Manish. “Studies on computational molecular interaction between SARS-CoV-2 main protease and natural products.” (2020).
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37. Khaerunnisa, Siti, et al. “Potential inhibitor of COVID-19 main protease (Mpro) from several medicinal plant compounds by molecular docking study.” Prepr. doi10 20944 (2020): 1-14.
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38. Tripathi, V., A. Mishra, and Y. Pathak. “Natural compounds as potential inhibitors of novel coronavirus (COVID-19) main protease: An in silico study.” (2020).
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39. Nguyen, Thi Thanh Hanh, et al. “Flavonoid-mediated inhibition of SARS coronavirus 3C-like protease expressed in Pichia pastoris.” Biotechnology letters 34.5 (2012): 831-838.
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40. Alamri, Mubarak A., et al. “Structure-based virtual screening and molecular dynamics of phytochemicals derived from Saudi medicinal plants to identify potential COVID-19 therapeutics.” (2020).
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41. Chen, Yu Wai, Chin-Pang Bennu Yiu, and Kwok-Yin Wong. “Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CL pro) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates.” F1000Research 9 (2020).
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42. Yong-Ming, Yan, et al. “Discovery of anti-2019-nCoV agents from 38 Chinese patent drugs toward respiratory diseases via docking screening.” Preprints (2020).
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43. Utomo, Rohmad Yudi, and Edy Meiyanto. “Revealing the potency of citrus and galangal constituents to halt SARS-CoV-2 infection.” (2020).
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44. Giri, Sabeena, Arnica F. Lal, and Shaminder Singh. “Battle against Coronavirus: Repurposing old friends (Food borne polyphenols) for new enemy (COVID-19).” (2020).
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45. Huynh, Tien, and Binquan Luan. “in silico Exploration of Molecular Mechanism and Potency Ranking of Clinically Oriented Drugs for Inhibiting SARS-CoV-2’s Main Protease.” (2020).
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46. Sivaraman, Dhanasekaran, and P. S. Pradeep. “Revealing anti-viral potential of Bio-active therapeutics targeting SARS-CoV2-polymerase (RdRp) in combating COVID-19: Molecular Investigation on Indian traditional medicines.” (2020).
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47. Jagdale, Shounak, et al. “Discovery of Multi-Target-Directed Ligands against SARS-CoV-2 through Targeting the Structurally Conserved Main Protease.” (2020).
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48. Sharma, Abhishek, et al. “Computational Search for Potential COVID-19 Drugs from FDA-Approved Drugs and Small Molecules of Natural Origin Identifies Several Anti-Virals and Plant Products.” (2020).
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49. Hashem, Heba. “IN Silico approach of some selected honey constituents as SARS-CoV-2 main protease (COVID-19) inhibitors.” (2020).
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50. Maurya, Dharmendra Kumar, and Deepak Sharma. “Evaluation of traditional ayurvedic preparation for prevention and management of the novel Coronavirus (SARS-CoV-2) using molecular docking approach.” (2020).
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51. Rathinavel, Thirumalaisamy, et al. “Phytochemical 6-Gingerol–A promising Drug of choice for COVID-19.” Int. J. Adv. Sci. Eng. Vol. 6 No. 4 1482-1489 (2020) 1482
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52. Gentile, Davide, et al. “Putative inhibitors of SARS-CoV-2 main protease from a library of marine natural products: A virtual screening and molecular modeling study.” Marine drugs 18.4 (2020): 225.
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53. Mohammadi, Narges, and Neda Shaghaghi. “Inhibitory effect of eight Secondary Metabolites from conventional Medicinal Plants on COVID_19 Virus Protease by Molecular Docking Analysis.” Preprint. Study Link
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54. Smith, Micholas, and Jeremy C. Smith. “Repurposing therapeutics for COVID-19: supercomputer-based docking to the SARS-CoV-2 viral spike protein and viral spike protein-human ACE2 interface.” (2020).
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55. Bharath, B. R., et al. “In silico screening of known small molecules to bind ACE2 specific RBD on Spike glycoprotein of SARS-CoV-2 for repurposing against COVID-19.” F1000Research 9 (2020).
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56. Rahman, Noor, et al. “Virtual Screening of Natural Products against Type II Transmembrane Serine Protease (TMPRSS2), the Priming Agent of Coronavirus 2 (SARS-CoV-2).” Molecules 25.10 (2020): 2271.
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57. Zhang, Leili, and Ruhong Zhou. “Binding mechanism of remdesivir to SARS-CoV-2 RNA dependent RNA polymerase.” (2020).
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58. Pandey, Preeti, et al. “Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development.” Journal of Biomolecular Structure and Dynamics (2020): 1-11.
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59. Mishra, Ashok Kumar, and Satya Prakash Tewari. “In Silico Screening of Some Naturally Occurring Bioactive Compounds Predicts Potential Inhibitors against SARS-COV-2 (COVID-19) Protease.” arXiv preprint arXiv:2004.01634 (2020).
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60. Bagherzadeh, Kowsar, et al. “In silico Repositioning for Dual Inhibitor Discovery of SARS-CoV-2 (COVID-19) 3C-like Protease and Papain-like Peptidase.” (2020).
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61. Serseg, Talia, Khedidja Benarous, and Mohamed Yousfi. “Hispidin and Lepidine E: two Natural Compounds and Folic acid as Potential Inhibitors of 2019-novel coronavirus Main Protease (2019-nCoVMpro), molecular docking and SAR study.” arXiv preprint arXiv:2004.08920 (2020).
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62. Maurya, Vimal K., et al. “Structure-based drug designing for potential antiviral activity of selected natural products from Ayurveda against SARS-CoV-2 spike glycoprotein and its cellular receptor.” VirusDisease (2020): 1-15.
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63. Chandel, Vaishali, et al. “In Silico Identification of Potent COVID-19 Main Protease Inhibitors from FDA Approved Antiviral Compounds and Active Phytochemicals through Molecular Docking: A Drug Repurposing Approach.” (2020).
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64. Azim, Kazi Faizul, et al. “Screening and Druggability Analysis of Some Plant Metabolites Against SARS-CoV-2.” (2020). Informatics in Medicine Unlocked, Volume 20, 2020, 100367.
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65. Trezza, Alfonso, et al. “An integrated drug repurposing strategy for the rapid identification of potential SARS-CoV-2 viral inhibitors.” Scientific reports 10.1 (2020): 1-8.
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66. Altayeb, Hisham, et al. “Potential activity of a selected natural compounds on SARS-CoV-2 RNA-dependent-RNA polymerase, and binding affinity of the receptor-binding domain (RBD).” (2020).
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67. Laskar, Monjur Ahmed, and Manabendra Dutta Choudhury. “Search for therapeutics against COVID 19 targeting SARS-CoV-2 papain-like protease: an in silico study.” (2020).
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68. Kumar, Sugandh, et al. “Identification of Drugs Targeting Multiple Viral and Human Proteins Using Computational Analysis for Repurposing Against COVID-19.” (2020).
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69. Trivedi, G. N., et al. “Review on the Novel Coronavirus Disease based on In-silico Analysis of Various Drugs and Target Proteins.” J Pure Appl Microbiol 14.suppl 1 (2020): 849-860.
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70. Singam, E. R. A., et al. “Structure-based virtual screening of a natural product database to identify several possible SARS-CoV-2 main protease inhibitors.” (2020): 1-15.
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71. Sencanski, Milan, et al. “Drug Repurposing for Candidate SARS-CoV-2 Main Protease Inhibitors by a Novel in Silico Method.” (2020).
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72. Ray, Abhik Kumar, et al. “Repurposing of FDA Approved Drugs for the Identification of Potential
Inhibitors of SARS-CoV-2 Main Protease.” chemRxiv (2020).
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73. Kumar, Anuj, et al. “Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches.” Journal of Biomolecular Structure and Dynamics just-accepted (2020): 1-21.
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74. Gao, Kaifu, et al. “Repositioning of 8565 existing drugs for COVID-19.” arXiv preprint arXiv:2005.10028 (2020).
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75. Güler, Halil Ibrahim, et al. “Investigation of potential inhibitor properties of ethanolic propolis extracts against ACE-II receptors for COVID-19 treatment by Molecular Docking Study.” ScienceOpen Preprints (2020).
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76. Rehman, Md Tabish, Mohamed F. AlAjmi, and Afzal Hussain. “Natural Compounds as Inhibitors of SARS-CoV-2 Main Protease (3CLpro): A Molecular Docking and Simulation Approach to Combat COVID-19.” (2020).
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77. Zhang, Jiao-Jiao, et al. “Discovery of anti-SARS-CoV-2 agents from commercially available flavor via docking screening.” (2020).
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78. Bhardwaj, Vijay Kumar, et al. “Identification of bioactive molecules from Tea plant as SARS-CoV-2 main protease inhibitors.” Journal of Biomolecular Structure and Dynamics just-accepted (2020): 1-13.
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79. Qiao, Zhen, et al. “Computational View toward the Inhibition of SARS-CoV-2 Spike Glycoprotein and the 3CL Protease.” Computation 8.2 (2020): 53.
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80. Patel, Dr, et al. “Identification of Potential Binders of the SARS-Cov-2 Spike Protein via Molecular Docking, Dynamics Simulation and Binding Free Energy Calculation.” (2020).
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81. Huynh, Tien, et al. “In Silico Exploration of Repurposing and Optimizing Traditional Chinese Medicine Rutin for Possibly Inhibiting SARS-CoV-2’s Main Protease.” (2020).
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82. Wahedi, Hussain Mustatab, Sajjad Ahmad, and Sumra Wajid Abbasi. “Stilbene-based natural compounds as promising drug candidates against COVID-19.” Journal of Biomolecular Structure and Dynamics (2020): 1-10.
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83. Salman, Saad, et al. “Virtual screening of immunomodulatory medicinal compounds as promising anti-SARS-COV-2 inhibitors.” Future Virology 0 (2020).
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84. AbrahamDogo, Goni, et al. “Molecular Docking Analyses of Phytochemicals Obtained from African Antiviral Herbal Plants Exhibit Inhibitory Activity against Therapeutic Targets of SARS-CoV-2.” (2020).
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85. Ahmad, Sajjad, et al. “Molecular Docking, Simulation and MM-PBSA Studies of Nigella Sativa Compounds: A Computational Quest to identify Potential Natural Antiviral for COVID-19 Treatment.” Journal of Biomolecular Structure and Dynamics just-accepted (2020): 1-16.
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86. Ray, Manisha, et al. “Druggability for COVID19–In silico discovery of Potential Drug Compounds against Nucleocapsid (N) Protein of SARS-CoV-2.” (2020).
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87. Smieszek, Sandra, et al. “Direct ACE2-Spike RBD Binding Disruption with Small Molecules: A Strategy for COVID-19 Treatment.” (2020).
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88. Santibáñez-Morán, Marisa G., et al. “Consensus Virtual Screening of Dark Chemical Matter and Food Chemicals Uncover Potential Inhibitors of SARS-CoV-2 Main Protease.” (2020).
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89. Rout, Janmejaya, Bikash Chandra Swain, and Umakanta Tripathy. “In Silico Investigation of Spice Molecules as Potent Inhibitor of SARS-CoV-2.” (2020).
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90. Yu, Ran, et al. “Computational screening of antagonist against the SARS-CoV-2 (COVID-19) coronavirus by molecular docking.” International Journal of Antimicrobial Agents (2020): 106012.
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91. Shaikh, Viquar Sameer, Yaseen Shaikh, and Khursheed Ahmed. “Lopinavir as a Potential Inhibitor for SARS-CoV-2 Target Protein: A Molecular Docking Study.” Available at SSRN 3596820 (2020).
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92. Kadil, Youness, Mohamed Mouhcine, and Houda Filali. “In silico Study of Pharmacological Treatments against SARS-CoV2 Main Protease.” J Pure Appl Microbiol 14.suppl 1 (2020): 1065-1071.
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93. Jiang, Yuanyuan, et al. “Repurposing therapeutics to identify novel inhibitors targeting 2′-O-ribose methyltransferase nsp16 of SARS-CoV-2.” (2020).
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94. Dasgupta, Jhimli, et al. “Nsp7 and Spike Glycoprotein of SARS-CoV-2 are envisaged as Potential Targets of Vitamin D and Ivermectin.” (2020).
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95. Srivastava, Akhileshwar, and Divya Singh. “Destabilizing the Structural Integrity of SARS-CoV2 Receptor Proteins by Curcumin Along with Hydroxychloroquine: An Insilco Approach for a Combination Therapy.” (2020).
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96. Suravajhala, Renuka, et al. “Comparative Docking Studies on Curcumin with COVID-19 Proteins.” (2020).
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97. Basu, Anamika, Anasua Sarkar, and Ujjwal Maulik. “Computational approach for the design of potential spike protein binding natural compounds in SARS-CoV2.” (2020).
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98. Farabi, Sayma, et al. “Prediction of SARS-CoV-2 Main Protease Inhibitors from Several Medicinal Plant Compounds by Drug Repurposing and Molecular Docking Approach.” (2020).
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99. Quimque, Mark Tristan J., et al. “Virtual Screening-Driven Drug Discovery of SARS-CoV2 Enzyme Inhibitors Targeting Viral Attachment, Replication, Post-Translational Modification and Host Immunity Evasion Infection Mechanisms.” Journal of Biomolecular Structure and Dynamics (2020): 1-23.
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100. Vardhan, Seshu, Bharat Z. Dholakiya, and Suban K. Sahoo. “Protein-ligand interaction study to identify potential dietary compounds binding at the active site of therapeutic target proteins of SARS-CoV-2.” arXiv preprint arXiv:2005.11767 (2020).
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101. Erlina, Linda, et al. “Virtual Screening on Indonesian Herbal Compounds as COVID-19 Supportive Therapy: Machine Learning and Pharmacophore Modeling Approaches.” (2020).
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102. Chauhan, Anita, and Seema Kalra. “Identification of potent COVID-19 main protease (MPRO) inhibitors from flavonoids.” (2020).
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103. Cozac, Romeo, Nazim Medzhidov, and Shinya Yuki. “Predicting inhibitors for SARS-CoV-2 RNA-dependent RNA polymerase using machine learning and virtual screening.” arXiv preprint arXiv:2006.06523 (2020).
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104. Rolta, Rajan, et al. “In silico screening of hundred phytocompounds of ten medicinal plants as potential inhibitors of nucleocapsid phosphoprotein of COVID-19: An approach to prevent virus assembly.” (2020).
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105. Hong, Zongchao, et al. “Network Pharmacology Integrated Molecular Docking Reveals the Anti-COVID-19 Mechanism of Qing-Fei-Da-Yuan Granules.” Natural Product Communications 15.6 (2020): 1934578X20934219.
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106. Subramanian, Shanmuga. “Some Neem Leaves extract compounds exhibit very high binding affinity against COVID-19 Main Protease (Mpro): A Molecular Docking Study.” (2020).
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107. Arul, Murugan Natarajan, et al. “Searching for target-specific and multi-targeting organics for Covid-19 in the Drugbank database with a double scoring approach.” (2020).
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108. Thurakkal, Liya, et al. “An in-silico study on selected organosulfur compounds as potential drugs for SARS-CoV-2 infection via binding multiple drug targets.” (2020).
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109. Narkhede, Rohan R., et al. “Recognition of natural products as potential inhibitors of COVID-19 main protease (Mpro): In-silico evidences.” Natural Products and Bioprospecting (2020): 1-10.
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110. Singh, Prachi, et al. “Potential Phytochemical Inhibitors of the Coronavirus RNA Dependent RNA Polymerase: A Molecular Docking Study.” (2020).
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111. Roomi, Muhammad, Muhammad Mahmood, and Yaser Khan. “Identifying Therapeutic Compounds Targeting RNA-Dependent-RNA-Polymerase of Sars-Cov-2.” (2020).
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112. Contreras-Puentes, Neyder, and Antistio Alvíz-Amador. “Virtual screening of natural metabolites and antiviral drugs with potential inhibitory activity against 3CL-PRO and PL-PRO.” Biomedical and Pharmacology Journal 13.2 (2020): 933-941.
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113. Khan, Abbas, et al. “Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro).” Journal of Biomolecular Structure and Dynamics (2020): 1-12.
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114. Gupta, Parth Sarthi Sen, et al. “Molecular Mechanism of Clinically Oriented Drug Famotidine with the Identified Potential Target of SARS-CoV-2.” chemRxiv (2020).
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115. Hussien, Mostafa A., and Ahmed EM Abdelaziz. “Molecular Docking suggests repurposing of Brincidofovir as a potential drug targeting SARS-CoV-2″ COVID-19″ ACE2 receptor and main protease.” (2020).
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116. Mbadiko, Clement M., et al. “A Mini Review on the Phytochemistry, Toxicology and Antiviral Activity of Some Medically Interesting Zingiberaceae Species.” Journal of Complementary and Alternative Medical Research (2020): 44-56.
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117. Laskar, Monjur Ahmed, Moriom Begam, and Manabendra Dutta Choudhury. “In Silico screening of some antiviral phytochemicals as drug leads against Covid-19.” (2020).
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118. Chikhale, Rupesh V., et al. “Sars-cov-2 host entry and replication inhibitors from Indian ginseng: an in-silico approach.” Journal of Biomolecular Structure and Dynamics (2020): 1-12.
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119. Patel, Ravi, et al. “Discovery of Fungal Metabolites Bergenin, Quercitrin and Dihydroartemisinin as Potential Inhibitors Against Main Protease of SARS-CoV-2.” (2020).
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120. Ghosh, Rajesh, et al. “Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors–an in silico docking and molecular dynamics simulation study.” Journal of Biomolecular Structure and Dynamics (2020): 1-13.
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121. Sajib, Abu. “Repurposing of approved drugs with potential to block SARS-CoV-2 surface glycoprotein interaction with host receptor.” (2020).
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122. Farag, Ayman, et al. “Identification of Atovaquone, Ouabain and Mebendazole as FDA Approved Drugs Tar-geting SARS-CoV-2 (Version 4).” (2020).
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123. Ojo, Oluwafemi Adeleke, et al. “Novel Coronavirus (SARS-CoV-2) Main Protease: Molecular docking of Puerarin as a Potential inhibitor.” (2020).
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124. Rachakulla, Venkata, and Hemanjali Rachakulla. “Potential Docking Affinity of Three Approved Drugs Against SARS-CoV-2 for COVID-19 Treatment.” (2020).
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125. Ortega, Joseph T., Maria Luisa Serrano, and Beata Jastrzebska. “Class AG protein-coupled receptor antagonist famotidine as a therapeutic alternative against SARS-CoV2: an in silico analysis.” Biomolecules 10.6 (2020): 954.
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126. Basu, Tinku. “Genetic Algorithm-Based Docking of Potent Inhibitors Against SARS-CoV-2 Main Protease: A Comparison Between Natural Products and Synthetic Drugs.” (2020).
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127. Lima de Oliveira, Micael Davi, and Kelson Mota Teixeira de Oliveira. “Comparative docking of SARS-CoV-2 receptors antagonists from repurposing drugs.” (2020).
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128. Sattari, Ahmad, Ali Ramazani, and Hamideh Aghahosseini. “Repositioning Therapeutics for COVID-19: Virtual Screening of the Potent Synthetic and Natural Compounds as SARS-CoV-2 3CLpro Inhibitors.” (2020).
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129. Borkotoky, Subhomoi, and Manidipa Banerjee. “A computational prediction of SARS-CoV-2 structural protein inhibitors from Azadirachta indica (Neem).” Journal of Biomolecular Structure and Dynamics just-accepted (2020): 1-17.
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130. Chernyshev, Anatoly. “Pharmaceutical Targeting the Envelope Protein of SARS-CoV-2: the Screening for Inhibitors in Approved Drugs.” (2020).
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131. Ruan, Zijing, et al. “Potential inhibitors targeting RNA-dependent RNA polymerase activity (NSP12) of SARS-CoV-2.” (2020).
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132. Abd El-Aziz, Nourhan M., et al. “Inhibition of COVID-19 RNA-Dependent RNA Polymerase by Natural Bioactive Compounds: Molecular Docking Analysis.” (2020).
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133. Mohapatra, Pranab Kishor, et al. “In Silico Screening of Phytochemicals of Ocimum Sanctum Against Main Protease of SARS-CoV-2.” (2020).
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134. Arumugam, Senthilkumar, et al. “Potential of Terminalia Arjuna as a Promising PhytoremedyAgainst COVID-19: DPPH Scavenging, Catalase Inhibition and Molecular Docking Studies.” (2020).
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135. Khan, Abbas, et al. “Phylogenetic analysis and structural perspectives of RNA-dependent RNA-polymerase inhibition from SARs-CoV-2 with natural products.” Interdisciplinary Sciences: Computational Life Sciences 12.3 (2020): 335-348.
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136. Mukherjee, Debica, and Upasana Ray. “SARS-CoV-2 nucleocapsid assembly inhibitors: Repurposing antiviral and antimicrobial drugs targeting nucleocapsid-RNA interaction.” (2020).
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137. Maroli, Nikhil, et al. “The Potential role of Procyanidin as a Therapeutic Agent against SARS-CoV-2: A Text Mining, Molecular Docking and Molecular Dynamics Simulation Approach.” (2020).
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138. Kandeel, Mahmoud, et al. “Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease.” Journal of Biomolecular Structure and Dynamics (2020): 1-8.
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139. Shaji, Divya. “Computational Identification of drug lead compounds for COVID-19 from Moringa Oleifera.” (2020).
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140. Xu, Heng, et al. “Use of network pharmacology and molecular docking to explore the potential mechanism governing the efficacy of Jinhuaqinggan granules in the treatment of novel coronavirus-induced pneumonia.” Precision Medicine Research 2.2 (2020): 78-94.
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141. TAOFEEK, OLUWASEUN. “Molecular Docking and Admet Analyses of Photochemicals from Nigella sativa (blackseed), Trigonella foenum-graecum (Fenugreek) and Anona muricata (Soursop) on SARS-CoV-2 Target.” ScienceOpen Preprints (2020).
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142. Ahkam, Ahmad Hafidul, et al. “Virtual prediction of antiviral potential of ginger (Zingiber officinale) bioactive compounds against spike and MPro of SARS-CoV2 protein.” Berkala Penelitian Hayati Journal of Biological Researches 25.2 (2020): 52-57.
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143. Rubilar, Tamara, et al. “In Silico Analysis of Sea Urchin Pigments as Potential Therapeutic Agents Against SARS-CoV-2: Main Protease (Mpro) as a Target.” (2020).
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