Potentiality of Moringa oleifera against SARS-CoV-2: identified by a rational computer aided drug design method

References

• Abd El-Mordy, F. M., El-Hamouly, M. M., Ibrahim, M. T., El-Rheem, G. A., Aly, O. M., Abd El-Kader, A. M., Youssif, K. A., & Abdelmohsen, U. R. (2020). Inhibition of SARS-CoV-2 main protease by phenolic compounds from Manilkara hexandra (Roxb.) Dubard assisted by metabolite profiling and in silico virtual screening. RSC Advances, 10(53), 32148–32155. https://doi.org/10.1039/D0RA05679K
   PubMed Web of Science ®Google Scholar
• Abraham, M. J., Murtola, T., Schulz, R., Páll, S., Smith, J. C., Hess, B., & Lindah, E. (2015). Gromacs: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX, 1–2, 19–25. https://doi.org/10.1016/j.softx.2015.06.001
   Google Scholar
• Ahmad, S., Abbasi, H. W., Shahid, S., Gul, S., & Abbasi, S. W. (2020). 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, 1–9. https://doi.org/10.1080/07391102.2020.1775129
   Google Scholar
• Ali, F., Hassan, N., & Abdrabou, R. (2016). Hepatoprotective and antiproliferative activity of moringinine, chlorogenic acid and quercetin. International Journal of Research in Medical Sciences, 4, 1147–1153. https://doi.org/10.18203/2320-6012.ijrms20160799
   Google Scholar
• Bhowmick, S., AlFaris, N. A., ALTamimi, J. Z., ALOthman, Z. A., Aldayel, T. S., Wabaidur, S. M., & Islam, M. A. (2020). Screening and analysis of bioactive food compounds for modulating the CDK2 protein for cell cycle arrest: Multi-cheminformatics approaches for anticancer therapeutics. Journal of Molecular Structure, 1216, 128316. https://doi.org/10.1016/j.molstruc.2020.128316
   Web of Science ®Google Scholar
• Bin Li, H., & Chen, F. (2005). Isolation and purification of baicalein, wogonin and oroxylin A from the medicinal plant Scutellaria baicalensis by high-speed counter-current chromatography. Journal of Chromatography A, 1074(1–2), 107–110. https://doi.org/10.1016/j.chroma.2005.03.088
   PubMed Web of Science ®Google Scholar
• BIOVIA Dassault Systèmes. (2020). BIOVIA, Dassault Systèmes, Discovery Studio Visualizer, 3.0. San Diego: Dassault Systèmes. https://3ds.com/products-services/biovia/products
   Google Scholar
• Chen, N., Zhou, M., Dong, X., Qu, J., Gong, F., Han, Y., Qiu, Y., Wang, J., Liu, Y., Wei, Y., Xia, J., Yu, T., Zhang, X., & Zhang, L. (2020). Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: A descriptive study. The Lancet, 395(10223), 507–513. https://doi.org/10.1016/S0140-6736(20)30211-7
   PubMed Web of Science ®Google Scholar
• Cherrak, S. A., Merzouk, H., & Mokhtari-Soulimane, N. (2020). Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors: A molecular docking and simulation studies. PLoS ONE, 15(10), e0240653. https://doi.org/10.1371/journal.pone.0240653
   PubMed Web of Science ®Google Scholar
• Coelho, C., Gallo, G., Campos, C. B., Hardy, L., & WüRtele, M. (2020). Biochemical screening for SARS-CoV-2 main protease inhibitors. PLoS ONE, 15(10), e0240079. https://doi.org/10.1371/journal.pone.0240079
   PubMed Web of Science ®Google Scholar
• Daina, A., Michielin, O., & Zoete, V. (2014). ILOGP: A simple, robust, and efficient description of n-octanol/water partition coefficient for drug design using the GB/SA approach. Journal of Chemical Information and Modeling, 54(12), 3284–3301. https://doi.org/10.1021/ci500467k
   PubMed Web of Science ®Google Scholar
• Daina, A., Michielin, O., & Zoete, V. (2017). SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific Reports, 7, 42717. https://doi.org/10.1038/srep42717
   PubMed Web of Science ®Google Scholar
• Dallakyan, S., & Olson, A. J. (2015). Small-molecule library screening by docking with PyRx. Methods in Molecular Biology (Clifton, N.J.), 1263, 243–250. https://doi.org/10.1007/978-1-4939-2269-7_19.
   PubMedGoogle Scholar
• Debnath, P., Debnath, B., Bhaumik, S., & Debnath, S. (2020). In silico identification of potential inhibitors of ADP-ribose phosphatase of SARS-CoV-2 nsP3 by combining E-pharmacophore- and receptor-based virtual screening of database. ChemistrySelect, 5(30), 9388–9393. https://doi.org/10.1002/slct.202001419
   PubMed Web of Science ®Google Scholar
• Denaro, M., Smeriglio, A., Barreca, D., De Francesco, C., Occhiuto, C., Milano, G., & Trombetta, D. (2020). Antiviral activity of plants and their isolated bioactive compounds: An update. Phytotherapy Research: PTR, 34(4), 742–768. https://doi.org/10.1002/ptr.6575
   PubMed Web of Science ®Google Scholar
• Dhama, K., Sharun, K., Tiwari, R., Dadar, M., Malik, Y. S., Singh, K. P., & Chaicumpa, W. (2020). COVID-19, an emerging coronavirus infection: Advances and prospects in designing and developing vaccines, immunotherapeutics, and therapeutics. Human Vaccines & Immunotherapeutics, 16(6), 1232–1238. https://doi.org/10.1080/21645515.2020.1735227
   PubMed Web of Science ®Google Scholar
• Fu, L., Ye, F., Feng, Y., Yu, F., Wang, Q., Wu, Y., Zhao, C., Sun, H., Huang, B., Niu, P., Song, H., Shi, Y., Li, X., Tan, W., Qi, J., & Gao, G. F. (2020). Both boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease. Nature Communications, 11(1), 4417–4417. https://doi.org/10.1038/s41467-020-18233-x
   PubMed Web of Science ®Google Scholar
• Fuzimoto, A. D., & Isidoro, C. (2020). The antiviral and coronavirus-host protein pathways inhibiting properties of herbs and natural compounds - Additional weapons in the fight against the COVID-19 pandemic? Journal of Traditional and Complement Medicine, 10(4), 405–419. https://doi.org/10.1016/j.jtcme.2020.05.003
   PubMedGoogle Scholar
• Gao, J., Tian, Z., & Yang, X. (2020). Breakthrough: Chloroquine phosphate has shown apparent efficacy in treatment of COVID-19 associated pneumonia in clinical studies. BioScience Trends, 14(1), 72–73. https://doi.org/10.5582/bst.2020.01047
   PubMed Web of Science ®Google Scholar
• Gentile, D., Patamia, V., Scala, A., Sciortino, M. T., Piperno, A., & Rescifina, A. (2020). 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), 225. 10.3390/md18040225 https://doi.org/10.3390/md18040225
   PubMed Web of Science ®Google Scholar
• Ghoke, S. S., Sood, R., Kumar, N., Pateriya, A. K., Bhatia, S., Mishra, A., Dixit, R., Singh, V. K., Desai, D. N., Kulkarni, D. D., Dimri, U., & Singh, V. P. (2018). Evaluation of antiviral activity of Ocimum sanctum and Acacia arabica leaves extracts against H9N2 virus using embryonated chicken egg model. BMC Complementary and Alternative Medicine, 18, 174. https://doi.org/10.1186/s12906-018-2238-1
   PubMed Web of Science ®Google Scholar
• Günther, S., Reinke, P. Y. A., Fernandez-Garcia, Y., Lieske, J., Lane, T. J., Ginn, H. M., Koua, F. H. M., Ehrt, C., Ewert, W., Oberthuer, D., Yefanov, O., Meier, S., Lorenzen, K., Krichel, B., Kopicki, J.-D., Gelisio, L., Brehm, W., Dunkel, I., Seychell, B., … Meents, A. (2020). Inhibition of SARS-CoV-2 main protease by allosteric drug-binding. Biorxiv. https://doi.org/10.1101/2020.11.12.378422
   Google Scholar
• Hevener, K. E., Zhao, W., Ball, D. M., Babaoglu, K., Qi, J., White, S. W., & Lee, R. E. (2009). Validation of molecular docking programs for virtual screening against dihydropteroate synthase. Journal of Chemical Information and Modeling, 49(2), 444–460. https://doi.org/10.1021/ci800293n
   PubMed Web of Science ®Google Scholar
• Huang, C., Wang, Y., Li, X., Ren, L., Zhao, J., Hu, Y., Zhang, L., Fan, G., Xu, J., Gu, X., Cheng, Z., Yu, T., Xia, J., Wei, Y., Wu, W., Xie, X., Yin, W., Li, H., Liu, M., … Cao, B. (2020). Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China. The Lancet, 395(10223), 497–506. https://doi.org/10.1016/S0140-6736(20)30183-5
   PubMed Web of Science ®Google Scholar
• Huang, J., & Mackerell, A. D. (2013). CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data. Journal of Computational Chemistry, 34(25), 2135–2145. https://doi.org/10.1002/jcc.23354
   PubMed Web of Science ®Google Scholar
• Huang, S.-Y., & Zou, X. (2006). Efficient molecular docking of NMR structures: Application to HIV-1 protease. Protein Science, 16(1), 43–51. https://doi.org/10.1110/ps.062501507
   PubMed Web of Science ®Google Scholar
• Huang, Y., Chen, W., Wallace, J. A., & Shen, J. (2016). All-atom continuous constant pH molecular dynamics with particle mesh Ewald and titratable water. Journal of Chemical Theory and Computation, 12(11), 5411–5421. https://doi.org/10.1021/acs.jctc.6b00552
   PubMed Web of Science ®Google Scholar
• Humphrey, W., Dalke, A., & Schulten, K. (1996). VMD: Visual molecular dynamics. Journal of Molecular Graphics, 14(1), 33–38. https://doi.org/10.1016/0263-7855(96)00018-5
   PubMedGoogle Scholar
• Hussain, W., Haleem, K. S., Khan, I., Tauseef, I., Qayyum, S., Ahmed, B., & Riaz, M. N. (2017). Medicinal plants: A repository of antiviral metabolites. Future Virology, 12(6), 299–308. https://doi.org/10.2217/fvl-2016-0110
   Web of Science ®Google Scholar
• Islam, R., Parves, R., Paul, A. S., Uddin, N., Rahman, M. S., Mamun, A. A., Hossain, M. N., Ali, M. A., & Halim, M. A. (2020). A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2. Journal of Biomolecular Structure and Dynamics, 1–20. https://doi.org/10.1080/07391102.2020.1761883
   PubMed Web of Science ®Google Scholar
• Jorgensen, W. L., & Tirado-Rives, J. (1988). The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin. Journal of the American Chemical Society, 110(6), 1657–1666. https://doi.org/10.1021/ja00214a001
   PubMed Web of Science ®Google Scholar
• Khaerunnisa, S., Kurniawan, H., Awaluddin, R., Suhartati, S., & Soetjipto, S. (2020). Potential inhibitor of COVID-19 main protease (Mpro) from several medicinal plant compounds by molecular docking study. Preprints. https://doi.org/10.20944/preprints202003.0226.v1
   Google Scholar
• Kumar, A. H. S. (2020). Molecular docking of natural compounds from tulsi (Ocimum sanctum) and neem (Azadirachtaindica) against SARS-CoV-2 protein targets. Biology, Engineering, Medicine and Science Reports, 6(1), 11–13. https://doi.org/10.5530/bems.6.1.4
   Google Scholar
• Kumari, A., Rajput, V. S., Nagpal, P., Kukrety, H., Grover, S., & Grover, A. (2020). Dual inhibition of SARS-CoV-2 spike and main protease through a repurposed drug, rutin. Journal of Biomolecular Structure and Dynamics, 1–13. 10.1080/07391102.2020.1864476
   Web of Science ®Google Scholar
• Kumari, R., Kumar, R., & Lynn, A, Open Source Drug Discovery Consortium. (2014). g_mmpbsa-a GROMACS tool for high-throughput MM-PBSA calculations. Journal of Chemical Information and Modeling, 54(7), 1951–1962. https://doi.org/10.1021/ci500020m
   PubMed Web of Science ®Google Scholar
• Laskowski, R. A., Jabłońska, J., Pravda, L., Vařeková, R. S., & Thornton, J. M. (2018). PDBsum: Structural summaries of PDB entries. Protein Science: A Publication of the Protein Society, 27(1), 129–134. https://doi.org/10.1002/pro.3289
   PubMed Web of Science ®Google Scholar
• Li, G., & De Clercq, E. (2020). Therapeutic options for the 2019 novel coronavirus (2019-nCoV). Nature Reviews Drug Discovery, 19(3), 149-150. https://doi.org/10.1038/d41573020-00016-0
   Google Scholar
• Liang, J., Pitsillou, E., Karagiannis, C., Darmawan, K. K., Ng, K., Hung, A., & Karagiannis, T. C. (2020 May 28). Interaction of the prototypical α-ketoamide inhibitor with the SARS-CoV-2 main protease active site in silico: Molecular dynamic simulations highlight the stability of the ligand-protein complex. Computational Biology and Chemistry, 87, 107292. 10.1016/j.compbiolchem.2020.107292. https://doi.org/10.1016/j.compbiolchem.2020.107292
   PubMed Web of Science ®Google Scholar
• Liao, C., Sitzmann, M., Pugliese, A., & Nicklaus, M. C. (2011). Software and resources for computational medicinal chemistry. Future Medicinal Chemistry, 3(8), 1057–1085. https://doi.org/10.4155/fmc.11.63
   PubMed Web of Science ®Google Scholar
• Lin, C. W., Tsai, F. J., Tsai, C. H., Lai, C. C., Wan, L., Ho, T. Y., Hsieh, C. C., & Chao, P. D. L. (2005). Anti-SARS coronavirus 3C-like protease effects of Isatis indigotica root and plant-derived phenolic compounds. Antiviral Research, 68(1), 36–42. https://doi.org/10.1016/j.antiviral.2005.07.002
   PubMed Web of Science ®Google Scholar
• Lin, L. T., Hsu, W. C., & Lin, C. C. (2014). Antiviral natural products and herbal medicines. Journal of Traditional and Complementary Medicine, 4(1), 24–35. https://doi.org/10.4103/2225-4110.124335
   PubMedGoogle Scholar
• Lipipun, V., Kurokawa, M., Suttisri, R., Taweechotipatr, P., Pramyothin, P., Hattori, M., & Shiraki, K. (2003). Efficacy of Thai medicinal plant extracts against herpes simplex virus type 1 infection in vitro and in vivo. Antiviral Research, 60(3), 175–180. https://doi.org/10.1016/S0166-3542(03)00152-9
   PubMed Web of Science ®Google Scholar
• Liu, J., Li, D., & Liu, X. (2016). A simple and accurate algorithm for path integral molecular dynamics with the Langevin thermostat. Journal of Chemical Physics, 145, 024103. https://doi.org/10.1063/1.4954990
   PubMed Web of Science ®Google Scholar
• Liu, X., Zhang, B., Jin, Z., Yang, H., & Rao, Z. (2020). 6LU7: The crystal structure of COVID-19 main protease in complex with an inhibitor N3. National Center for Biotechnology Information, PDB ID: 6LU7. 10.2210/pdb6LU7/pdb
   Google Scholar
• Monera, T. G., & Maponga, C. C. (2012). Prevalence and patterns of Moringa oleifera use among HIV positive patients in Zimbabwe: A cross-sectional survey. Journal of Public Health in Africa, 3(1), 6–24. https://doi.org/10.4081/jphia.2012.e6
   Google Scholar
• Morris, G. M., Ruth, H., Lindstrom, W., Sanner, M. F., Belew, R. K., Goodsell, D. S., & Olson, A. J. (2009). Software news and updates AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. Journal of Computational Chemistry, 30(16), 2785–2791. https://doi.org/10.1002/jcc.21256
   PubMed Web of Science ®Google Scholar
• Muralidharan, N., Sakthivel, R., Velmurugan, D., & Gromiha, M. M. (2020). Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 protease against COVID-19. Journal of Biomolecular Structure and Dynamics. https://doi.org/10.1080/07391102.2020.1752802
   PubMed Web of Science ®Google Scholar
• Rani, N. Z. A., Husain, K., & Kumolosasi, E. (2018). Moringa genus: A review of phytochemistry and pharmacology. Frontiers in Pharmacology, 9, 108. https://doi.org/10.3389/fphar.2018.00108
   PubMedGoogle Scholar
• Ruymgaart, A. P., & Elber, R. (2012). Revisiting molecular dynamics on a CPU/GPU system: Water kernel and SHAKE parallelization. Journal of Chemical Theory and Computation, 8(11), 4624–4636. https://doi.org/10.1021/ct300324k
   PubMed Web of Science ®Google Scholar
• Ryu, Y. B., Jeong, H. J., Kim, J. H., Kim, Y. M., Park, J.-Y., Kim, D., Nguyen, T. T. H., Park, S.-J., Chang, J. S., Park, K. H., Rho, M.-C., & Lee, W. S. (2010). Biflavonoids from Torreya nucifera displaying SARS-CoV 3CL(pro) inhibition. Bioorganic & Medicinal Chemistry, 18(22), 7940–7947. https://doi.org/10.1016/j.bmc.2010.09.035
   PubMed Web of Science ®Google Scholar
• Ryu, Y. B., Park, S. J., Kim, Y. M., Lee, J. Y., Seo, W. D., Chang, J. S., Park, K. H., Rho, M. C., & Lee, W. S. (2010). SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii. Bioorganic & Medicinal Chemistry Letters, 20(6), 1873–1876. https://doi.org/10.1016/j.bmcl.2010.01.152
   PubMed Web of Science ®Google Scholar
• Sampangi-Ramaiah, M. H., Vishwakarma, R., & Shaanker, R. U. (2020). Molecular docking analysis of selected natural products from plants for inhibition of SARS-CoV-2 main protease. Current Science, 118, 1087–1092. https://doi.org/10.18520/cs/v118/i7/1087-1092.
   Web of Science ®Google Scholar
• Sen, D., Debnath, P., Debnath, B., Bhaumik, S., & Debnath, S. (2020). Identification of potential inhibitors of SARS-CoV-2 Main Protease and Spike receptor from ten important spices through structure-based virtual screening and molecular dynamic study. Journal of Molecular Structure and Dynamics. https://doi.org/10.1080/07391102.2020.1819883
   Google Scholar
• Sharma, J., Kumar Bhardwaj, V., Singh, R., Rajendran, V., Purohit, R., & Kumar, S. (2021). An in-silico evaluation of different bioactive molecules of tea for their inhibition potency against non structural protein-15 of SARS-CoV-2. Food Chemistry, 346, 128933. https://doi.org/10.1016/j.foodchem.2020.128933.
   PubMed Web of Science ®Google Scholar
• Singh, A., & Mishra, A. (2020). Leucoefdin a potential inhibitor against SARS CoV-2 Mpro. Journal of Biomolecular Structure and Dynamics. https://doi.org/10.1080/07391102.2020.1777903
   Google Scholar
• Singh, K. D., & Muthusamy, K. (2013). Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT(1) and ET(A) receptor antagonists. Acta Pharmacologica Sinica, 34(12), 1592–1606. https://doi.org/10.1038/aps.2013.129
   PubMed Web of Science ®Google Scholar
• Solnier, J., & Fladerer, J. P. (2020). Flavonoids: A complementary approach to conventional therapy of COVID-19? Phytochemistry Reviews, 18, 1–23. https://doi.org/10.1007/s11101-020-09720-6
   Google Scholar
• Su, H., Yao, S., Zhao, W., Li, M., Liu, J., Shang, W., Xie, H., Ke, C., Gao, M., Yu, K., Liu, H., Shen, J., Tang, W., Zhang, L., Zuo, J., Jiang, H., Bai, F., Wu, Y., Ye, Y., & Xu, Y. (2020). Discovery of baicalin and baicalein as novel, natural product inhibitors of SARS-CoV-2 3CL protease in vitro. BioRxiv. https://doi.org/10.1101/2020.04.13.038687
   Google Scholar
• Su, H.-X., Yao, S., Zhao, W.-F., Li, M.-J., Liu, J., Shang, W.-J., Xie, H., Ke, C.-Q., Hu, H.-C., Gao, M.-N., Yu, K.-Q., Liu, H., Shen, J.-S., Tang, W., Zhang, L.-K., Xiao, G.-F., Ni, L., Wang, D.-W., Zuo, J.-P., … Xu, Y.-C. (2020). Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacologica Sinica, 41, 1167–1177. https://doi.org/10.1038/s41401-020-0483-6
   PubMed Web of Science ®Google Scholar
• Tiwari, V., Darmani, N. A., Yue, B. Y. J. T., & Shukla, D. (2010). In vitro antiviral activity of neem (Azardirachta indica L.) bark extract against herpes simplex virus type-1 infection. Phytotherapy Research: PTR, 24(8), 1132–1140. https://doi.org/10.1002/ptr.3085
   PubMed Web of Science ®Google Scholar
• Tu, Y.-F., Chien, C.-S., Yarmishyn, A. A., Lin, Y.-Y., Luo, Y.-H., Lin, Y.-T., Lai, W.-Y., De, M., Yang, S.-J., Chou, Y.-P., Yang, M.-L., Wang, S.-H., & Chiou, A. (2020). Review of SARS-CoV-2 and the ongoing clinical trials. International Journal of Molecular Sciences, 21(7), 2657.10.3390/ijms21072657.
   PubMed Web of Science ®Google Scholar
• ul Qamar, M. T., Alqahtani, S. M., Alamri, M. A., & Chen, L.-L. (2020). Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants. Journal of Pharmaceutical Analysis, 10(4), 313–319. https://doi.org/10.1016/j.jpha.2020.03.009
   PubMed Web of Science ®Google Scholar
• Vuong, W., Khan, M. B., Fischer, C., Arutyunova, E., Lamer, T., Shields, J., Saffran, H. A., McKay, R. T., van Belkum, M. J., Joyce, M. A., Young, H. S., Tyrrell, D. L., Vederas, J. C., & Lemieux, M. J. (2020). Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication. Nature Communications, 11(1), 4282–4282. 10.1038/s41467-020-18096-2.
   PubMed Web of Science ®Google Scholar
• Warnock, D. G. (2020). Clinical Trials during the SARS-CoV-2 Pandemic. Nephron, 144(5), 248–250. 10.1159/000507582
   PubMed Web of Science ®Google Scholar
• World Health Organization. (2020). International Health Regulations Emergency Committee on novel coronavirus in China. World Health Organization. https://www.who.int/news-room/events/detail/2020/01/30/default-calendar/international-health-regulations-emergency-committee-on-novel-coronavirus-in-china
   Google Scholar
• Wu, F., Zhao, S., Yu, B., Chen, Y. M., Wang, W., Song, Z. G., Hu, Y., Tao, Z. W., Tian, J. H., Pei, Y. Y., Yuan, M. L., Zhang, Y. Z. Y. L., Dai, F. H., Liu, Y., Wang, Q. M., Zheng, J. J., Xu, L., Holmes, E. C., & Zhang, Y. Z. Y. L. (2020). A new coronavirus associated with human respiratory disease in China. Nature, 579(7798), 265–269. https://doi.org/10.1038/s41586-020-2008-3
   PubMed Web of Science ®Google Scholar
• Xu, B., Huang, Z., Liu, C., Cai, Z., Pan, W., Cao, P., Hao, X., & Liang, G. (2009). Synthesis and anti-hepatitis B virus activities of Matijing-Su derivatives. Bioorganic & Medicinal Chemistry, 17(8), 3118–3125. https://doi.org/10.1016/j.bmc.2009.03.003
   PubMed Web of Science ®Google Scholar
• Yang, H., Yang, M., Ding, Y., Liu, Y., Lou, Z., Zhou, Z., Sun, L., Mo, L., Ye, S., Pang, H., Gao, G. F., Anand, K., Bartlam, M., Hilgenfeld, R., & Rao, Z. (2003). The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor. Proceedings of the National Academy of Sciences of the United States of America, 100(23), 13190–13195. https://doi.org/10.1073/pnas.1835675100
   PubMed Web of Science ®Google Scholar
• Yang, K. S., Ma, X. R., Ma, Y., Alugubelli, Y. R., Scott, D. A., Vatansever, E. C., Drelich, A. K., Sankaran, B., Geng, Z. Z., Blankenship, L. R., Ward, H. E., Sheng, Y. J., Hsu, J. C., Kratch, K. C., Zhao, B., Hayatshahi, H. S., Liu, J., Li, P., Fierke, C. A., … Liu, W. R. (2020). A quick route to multiple highly potent SARS-CoV-2 main protease inhibitors. ChemMedChem. https://doi.org/10.1002/cmdc.202000924
   Google Scholar
• Yoshino, R., Yasuo, N., & Sekijima, M. (2020). Identification of key interactions between SARS-CoV-2 main protease and inhibitor drug candidates. Scientific Reports, 10(1), 12493. https://doi.org/10.1038/s41598-020-69337-9.
   PubMed Web of Science ®Google Scholar
• Younus, I., Ashraf, M., Fatima, A., Altaf, I., & Javeed, A. (2020). Evaluation of cytotoxic and antiviral activities of aqueous leaves extracts of different plants against foot and mouth disease virus infection in farming animals. Pakistan Journal of Pharmaceutical Sciences, 30(6), 2165–2172.
   Google Scholar
• Zhang, L., Lin, D., Kusov, Y., Nian, Y., Ma, Q., Wang, J., Von Brunn, A., Leyssen, P., Lanko, K., Neyts, J., De Wilde, A., Snijder, E. J., Liu, H., & Hilgenfeld, R. (2020). α-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication: Structure-based design, synthesis, and activity assessment. Journal of Medicinal Chemistry, 63(9), 4562–4578. https://doi.org/10.1021/acs.jmedchem.9b01828
   PubMed Web of Science ®Google Scholar
• Zhang, L., Lin, D., Sun, X., Curth, U., Drosten, C., Sauerhering, L., Becker, S., Rox, K., & Hilgenfeld, R. (2020). Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors. Science (New York, N.Y.), 368(6489), 409–412. https://doi.org/10.1126/science.abb3405
   PubMed Web of Science ®Google Scholar
• Zhou, P., Yang, X. L., Wang, X. G., Hu, B., Zhang, L., Zhang, W., Si, H. R., Zhu, Y., Li, B., Huang, C. L., Chen, H. D., Chen, J., Luo, Y., Guo, H., Jiang, R. D., Liu, M. Q., Chen, Y., Shen, X. R., Wang, X., … Shi, Z.-L. (2020). A pneumonia outbreak associated with a new coronavirus of probable bat origin. Nature, 579(7798), 270–273. https://doi.org/10.1038/s41586-020-2012-7
   PubMed Web of Science ®Google Scholar
• Zhu, N., Zhang, D., Wang, W., Li, X., Yang, B., Song, J., Zhao, X., Huang, B., Shi, W., Lu, R., Niu, P., Zhan, F., Ma, X., Wang, D., Xu, W., Wu, G., Gao, G. F., & Tan, W, China Novel Coronavirus Investigating and Research Team (2020). A novel coronavirus from patients with pneumonia in China, 2019. The New England Journal of Medicine, 382(8), 727–733. https://doi.org/10.1056/NEJMoa2001017
   PubMed Web of Science ®Google Scholar