Repurposing potential of FDA‐approved and investigational drugs for COVID‐19 targeting SARS‐CoV‐2 spike and main protease and validation by machine learning algorithm

SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor

Hoffmann, M., Kleine-Weber, H., Schroeder, S., Krüger, N., Herrler, T., Erichsen, S., Schiergens, T. S., Herrler, G., Wu, N.-H., Nitsche, A., et al. (2020) · Cell · doi:10.1016/j.cell.2020.02.052 · Cited by 20,286 · see citing works

Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation

Wrapp, D., Wang, N., Corbett, K. S., Goldsmith, J. A., Hsieh, C.-L., Abiona, O., Graham, B. S., & McLellan, J. S. (2020) · Science · doi:10.1126/science.abb2507 · Cited by 8,897 · see citing works

Structure, function and antigenicity of the SARS-CoV-2 spike glycoprotein

Walls, A. C., Park, Y.-J., Tortorici, M. A., Wall, A., McGuire, A. T., & Veesler, D. (2020) · doi:10.1101/2020.02.19.956581 · Cited by 8,586 · see citing works

Extended-Connectivity Fingerprints

Rogers, D. O. W., & Hahn, M. (2010) · Journal of Chemical Information and Modeling · doi:10.1021/ci100050t · Cited by 7,597 · see citing works

Detection of 2019 novel coronavirus (2019-nCoV) by real-time RT-PCR

Corman, V. M., Landt, O., Kaiser, M., Molenkamp, R., Meijer, A., Chu, D. K. W., Bleicker, T., Brünink, S., Schneider, J. A., Schmidt, M. L., et al. (2020) · Eurosurveillance · doi:10.2807/1560-7917.es.2020.25.3.2000045 · Cited by 7,266 · see citing works

Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro

Wang, M., Cao, R., Zhang, L., Yang, X., Liu, J., Xu, M., Shi, Z., Hú, Z., Zhong, W., & Xiao, G. (2020) · Cell Research · doi:10.1038/s41422-020-0282-0 · Cited by 6,967 · see citing works

A Trial of Lopinavir–Ritonavir in Adults Hospitalized with Severe Covid-19

Cao, B., Wang, Y., Wen, D., Liu, W., Wang, J., Fan, G., Ruan, L., Song, B., Cai, Y., Wei, M., et al. (2020) · New England Journal of Medicine · doi:10.1056/nejmoa2001282 · Cited by 5,187 · see citing works

Network pharmacology: the next paradigm in drug discovery

Hopkins, A. L. (2008) · Nature Chemical Biology · doi:10.1038/nchembio.118 · Cited by 4,622 · see citing works

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

Jin, Z., Du, X., Xu, Y., Deng, Y., Liu, M., Zhao, Y., Zhang, B., Li, X., Zhang, L., Peng, C., et al. (2020) · Nature · doi:10.1038/s41586-020-2223-y · Cited by 4,432 · see citing works

Receptor Recognition by the Novel Coronavirus from Wuhan: an Analysis Based on Decade-Long Structural Studies of SARS Coronavirus

Wan, Y., Shang, J., Graham, R., Baric, R. S., & Li, F. (2020) · Journal of Virology · doi:10.1128/jvi.00127-20 · Cited by 4,341 · cited 2× · see citing works

Radiological findings from 81 patients with COVID-19 pneumonia in Wuhan, China: a descriptive study

Shi, H., Han, X., Jiang, N., Cao, Y., Alwalid, O., Gu, J., Fan, Y., & Zheng, C. (2020) · The Lancet Infectious Diseases · doi:10.1016/s1473-3099(20)30086-4 · Cited by 3,664 · see citing works

Structural basis of receptor recognition by SARS-CoV-2

Shang, J., Ye, G., Shi, K., Wan, Y., Luo, C., Aihara, H., Geng, Q., Auerbach, A., & Li, F. (2020) · Nature · doi:10.1038/s41586-020-2179-y · Cited by 3,661 · see citing works

Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors

Zhang, L., Lin, D., Sun, X., Curth, U., Drosten, C., Sauerhering, L., Becker, S., Rox, K., & Hilgenfeld, R. (2020) · Science · doi:10.1126/science.abb3405 · Cited by 3,275 · see citing works

MolDock: A New Technique for High-Accuracy Molecular Docking

Thomsen, R., & Christensen, M. H. (2006) · Journal of Medicinal Chemistry · doi:10.1021/jm051197e · Cited by 2,337 · see citing works

Structural and functional properties of SARS-CoV-2 spike protein: potential antivirus drug development for COVID-19

Huang, Y., Yang, C., Xu, X.-F., Xü, W., & Liu, S. (2020) · Acta Pharmacologica Sinica · doi:10.1038/s41401-020-0485-4 · Cited by 2,207 · see citing works

The FDA-approved drug ivermectin inhibits the replication of SARS-CoV-2 in vitro.

Caly, L., Druce, J. D., Catton, M. G., Jans, D. A., & Wagstaff, K. M. (2020) · Antiviral Research · doi:10.1016/j.antiviral.2020.104787 · Cited by 2,179 · see citing works

Coronavirus Disease 2019 (COVID-19): A Perspective from China

Zu, Z. Y., Jiang, M. D., Xu, P. P., Chen, W., Ni, Q. Q., Lu, G. M., & Zhang, L. J. (2020) · Radiology · doi:10.1148/radiol.2020200490 · Cited by 2,070 · see citing works

LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters

Wolber, G., & Langer, T. (2004) · Journal of Chemical Information and Modeling · doi:10.1021/ci049885e · Cited by 1,989 · see citing works

STITCH 5: augmenting protein–chemical interaction networks with tissue and affinity data

Szklarczyk, D., Santos, A., von Mering, C., Jensen, L. J., Peer Bork, B., & Kuhn, M. (2015) · Nucleic Acids Research · doi:10.1093/nar/gkv1277 · Cited by 1,702 · see citing works

Clinical characteristics of novel coronavirus cases in tertiary hospitals in Hubei Province

Liu, K., Fang, Y.-Y., Deng, Y., Liu, W. Y., Wang, M., Ma, J.-P., Xiao, W. L., Wang, Y.-N., Zhong, M.-H., Li, C.-H., et al. (2020) · Chinese Medical Journal · doi:10.1097/cm9.0000000000000744 · Cited by 1,412 · see citing works

Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion

Xia, S., Liu, M., Wang, C., Xu, W., Lan, Q., Feng, S., Qi, F., Bao, L., Du, L., Liu, S., et al. (2020) · Cell Research · doi:10.1038/s41422-020-0305-x · Cited by 1,340 · see citing works

The Novel Coronavirus Originating in Wuhan, China

Phelan, A., Katz, R., & Gostin, L. O. (2020) · JAMA · doi:10.1001/jama.2020.1097 · Cited by 1,210 · see citing works

Network‐based prediction of protein function

Sharan, R., Ulitsky, I., & Ron Shamir, A. (2007) · Molecular Systems Biology · doi:10.1038/msb4100129 · Cited by 1,077 · see citing works

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

Yang, S. (2010) · Drug Discovery Today · doi:10.1016/j.drudis.2010.03.013 · Cited by 902 · see citing works

Visualizing density maps with UCSF Chimera

Goddard, T. D., Huang, C. C., & Ferrin, T. E. (2006) · Journal of Structural Biology · doi:10.1016/j.jsb.2006.06.010 · Cited by 876 · see citing works

The antiviral compound remdesivir potently inhibits RNA-dependent RNA polymerase from Middle East respiratory syndrome coronavirus

Gordon, C. J., Tchesnokov, E. P., Feng, J. Y., Porter, D., & Götte, M. (2020) · Journal of Biological Chemistry · doi:10.1074/jbc.ac120.013056 · Cited by 853 · see citing works

Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019‐nCoV

Morse, J. S., Lalonde, T. J., Xu, S., & Liu, W. R. (2020) · ChemBioChem · doi:10.1002/cbic.202000047 · Cited by 782 · see citing works

Pre-fusion structure of a human coronavirus spike protein

Kirchdoerfer, R. N., Cottrell, C. A., Wang, N., Pallesen, J., Yassine, H. M., Turner, H. L., Corbett, K. S., Graham, B. S., McLellan, J. S., & Ward, A. B. (2016) · Nature · doi:10.1038/nature17200 · Cited by 765 · see citing works

History and Recent Advances in Coronavirus Discovery

Kahn, J. S., & McIntosh, K. (2005) · The Pediatric Infectious Disease Journal · doi:10.1097/01.inf.0000188166.17324.60 · Cited by 616 · see citing works

Drug Retention Rate and Predictive Factors of Drug Survival for Interleukin-1 Inhibitors in Systemic Juvenile Idiopathic Arthritis

Sota, J., Insalaco, A., Cimaz, R., Alessio, M., Cattalini, M., Gallizzi, R., Maggio, M. C., Lopalco, G., Torre, F. L., Fabiani, C., et al. (2019) · Frontiers in Pharmacology · doi:10.3389/fphar.2018.01526 · Cited by 616 · see citing works

COVID-19: a recommendation to examine the effect of hydroxychloroquine in preventing infection and progression

Zhou, D., Dai, S., & Tong, Q. (2020) · Journal of Antimicrobial Chemotherapy · doi:10.1093/jac/dkaa114 · Cited by 606 · see citing works

Protease inhibitors targeting coronavirus and filovirus entry

Zhou, Y., Vedantham, P., Lü, K., Agudelo, J., Carrion, R., Nunneley, J. W., Barnard, D. L., Pöhlmann, S., McKerrow, J. H., Renslo, A. R., et al. (2015) · Antiviral Research · doi:10.1016/j.antiviral.2015.01.011 · Cited by 588 · see citing works

Predicting disease genes using protein–protein interactions

Oti, M., Snel, ‎., Huynen, M. A., & Brunner, H. G. (2006) · Journal of Medical Genetics · doi:10.1136/jmg.2006.041376 · Cited by 574 · see citing works

Tectonic conformational changes of a coronavirus spike glycoprotein promote membrane fusion

Walls, A. C., Tortorici, M. A., Snijder, J., Xiong, X., Bosch, B., Rey, F. A., & Veesler, D. (2017) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1708727114 · Cited by 539 · see citing works

Structures of Two Coronavirus Main Proteases: Implications for Substrate Binding and Antiviral Drug Design

Xue, X., Yu, H. D., Yang, H., Xue, F., Wu, Z., Shen, W., Li, J., Zhou, Z., Ding, Y., Zhao, Q., et al. (2007) · Journal of Virology · doi:10.1128/jvi.02114-07 · Cited by 472 · see citing works

Identification of Nafamostat as a Potent Inhibitor of Middle East Respiratory Syndrome Coronavirus S Protein-Mediated Membrane Fusion Using the Split-Protein-Based Cell-Cell Fusion Assay

Yamamoto, M., Matsuyama, S., Li, X., Takeda, M., Kawaguchi, Y., Inoue, J., & Matsuda, Z. (2016) · Antimicrobial Agents and Chemotherapy · doi:10.1128/aac.01043-16 · Cited by 340 · see citing works

Glycopeptide Antibiotics Potently Inhibit Cathepsin L in the Late Endosome/Lysosome and Block the Entry of Ebola Virus, Middle East Respiratory Syndrome Coronavirus (MERS-CoV), and Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV)

Zhou, N., Pan, T. S., Zhang, J., Li, Q., Zhang, X., Bai, C., Huang, F., Peng, T., Zhang, J., Liu, C., et al. (2016) · Journal of Biological Chemistry · doi:10.1074/jbc.m116.716100 · Cited by 288 · see citing works

Discovery and development of safe-in-man broad-spectrum antiviral agents

Andersen, P. I., Ianevski, A., Lysvand, H., Vitkauskienė, A., Oksenych, V., Bjørås, M., Telling, K., Lutsar, I., Dumpis, U., Irie, Y., et al. (2020) · International Journal of Infectious Diseases · doi:10.1016/j.ijid.2020.02.018 · Cited by 272 · see citing works

Detection of West Nile virus in a common whitethroat (Curruca communis) and Culex mosquitoes in the Netherlands, 2020

Sikkema, R. S., Schrama, M. J. J., van den Berg, T., Morren, J., Münger, E., Krol, L., van der Beek, J. G., Blom, R., Chestakova, I., van der Linden, A., et al. (2020) · Eurosurveillance · doi:10.2807/1560-7917.es.2020.25.40.2001704 · Cited by 237 · see citing works

Different Outcomes of Experimental Hepatitis E Virus Infection in Diverse Mouse Strains, Wistar Rats, and Rabbits

Schlosser, J., Dähnert, L., Dremsek, P., Tauscher, K., Fast, C., Ziegler, U., Gröner, A., Ulrich, R. G., Groschup, M. H., & Eiden, M. (2018) · Viruses · doi:10.3390/v11010001 · Cited by 222 · see citing works

Indomethacin Has a Potent Antiviral Activity against Sars Coronavirus

Amici, C., Di, A., Ciucci, A., Chiappa, L., Castilletti, C., Martella, V., Decaro, N., Buonavoglia, C., Capobianchi, M. R., & Santoro, M. (2006) · Antiviral Therapy · doi:10.1177/135965350601100803 · Cited by 206 · see citing works

Phylogenetics, Genomic Recombination, and NSP2 Polymorphic Patterns of Porcine Reproductive and Respiratory Syndrome Virus in China and the United States in 2014–2018

Yu, F., Yan, Y., Shī, M., Liu, H., Zhang, H., Yang, Y., Huang, X.-Y., Gauger, P. C., Zhang, J., Zhang, Y.-H., et al. (2020) · Journal of Virology · doi:10.1128/jvi.01813-19 · Cited by 160 · see citing works

Rapid establishment of laboratory diagnostics for the novel coronavirus SARS-CoV-2 in Bavaria, Germany, February 2020

Konrad, R., Eberle, U., Dangel, A., Treis, B., Berger, A., Bengs, K., Fingerle, V., Liebl, B., Ackermann, N., & Sing, A. (2020) · Eurosurveillance · doi:10.2807/1560-7917.es.2020.25.9.2000173 · Cited by 158 · see citing works

3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors

Sakkiah, S., Thangapandian, S., John, S., Kwon, Y. J., & Lee, K. W. (2010) · European Journal of Medicinal Chemistry · doi:10.1016/j.ejmech.2010.01.016 · Cited by 139 · see citing works

A Unique Protease Cleavage Site Predicted in the Spike Protein of the Novel Pneumonia Coronavirus (2019-nCoV) Potentially Related to Viral Transmissibility

Wang, Q., Qiu, Y., Li, J., Zhou, Z., Liao, C.-H., & Ge, X. (2020) · Virologica Sinica · doi:10.1007/s12250-020-00212-7 · Cited by 138 · see citing works

Vaccinia virus in Feces and Urine of Wild Rodents from São Paulo State, Brazil

Peres, M. G., Bacchiega, T. S., Appolinário, C. M., Vicente, A. F., Mioni, M. D. S. R., Ribeiro, B., Fonseca, C., Pelícia, V. C., Ferreira, F., Abrahão, J. S., et al. (2018) · Viruses · doi:10.3390/v10020051 · Cited by 130 · see citing works

Neural circuits and nicotinic acetylcholine receptors mediate the cholinergic regulation of midbrain dopaminergic neurons and nicotine dependence

Xiao, C., Zhou, C., Jiang, J., & Cui, Y. (2019) · Acta Pharmacologica Sinica · doi:10.1038/s41401-019-0299-4 · Cited by 120 · see citing works

Hydroxychloroquine prophylaxis for COVID-19 contacts in India

Rathi, S., Ish, P., Kalantri, A., & Kalantri, S. (2020) · The Lancet Infectious Diseases · doi:10.1016/s1473-3099(20)30313-3 · Cited by 120 · see citing works

The Virtual Laboratory: a toolset to enable distributed molecular modelling for drug design on the World‐Wide Grid

Buyya, R., Branson, K., Giddy, J. P., & Abramson, D. (2003) · Concurrency and Computation Practice and Experience · doi:10.1002/cpe.704 · Cited by 118 · see citing works

Déjà vu: Stimulating open drug discovery for SARS-CoV-2

Ekins, S., Mottin, M., Ramos, P. R. P. S., Sousa, B. K. D. P., Neves, B. J., Foil, D. H., Zorn, K. M., Braga, R. C., Coffee, M. P., Southan, C., et al. (2020) · Drug Discovery Today · doi:10.1016/j.drudis.2020.03.019 · Cited by 99 · see citing works

Bayesian Models Leveraging Bioactivity and Cytotoxicity Information for Drug Discovery

Ekins, S., Reynolds, R. C., Kim, H., Koo, M.-S., Ekonomidis, M., Talaue, M. T., Paget, S. D., Woolhiser, L. K., Lenaerts, A. J. M., Bunin, B. A., et al. (2013) · Chemistry & Biology · doi:10.1016/j.chembiol.2013.01.011 · Cited by 97 · see citing works

The Natural Compound Homoharringtonine Presents Broad Antiviral Activity In Vitro and In Vivo

Dong, H.-J., Wang, Z., Meng, W., Li, C.-C., Hu, Y., Zhou, L., & Wang, X.-J. (2018) · Viruses · doi:10.3390/v10110601 · Cited by 92 · see citing works

Antiviral activity of the adenosine analogue BCX4430 against West Nile virus and tick-borne flaviviruses

Eyer, L., Zouharová, D., Širmarová, J., Fojtíková, M., Štefánik, M., Haviernik, J., Nencka, R., Clercq, E. D., & Růžek, D. (2017) · Antiviral Research · doi:10.1016/j.antiviral.2017.03.012 · Cited by 87 · see citing works

Emetine, Ipecac, Ipecac Alkaloids and Analogues as Potential Antiviral Agents for Coronaviruses

Bleasel, M. D., & Peterson, G. M. (2020) · Pharmaceuticals · doi:10.3390/ph13030051 · Cited by 79 · see citing works

Synergistic antiviral activity of gemcitabine and ribavirin against enteroviruses

Kang, H., Kim, C., Kim, D., Song, J.-H., Choi, M., Choi, K., Kang, M.-G., Lee, K., Kim, H. S., Shin, J. S., et al. (2015) · Antiviral Research · doi:10.1016/j.antiviral.2015.10.011 · Cited by 71 · see citing works

Novel activities of safe-in-human broad-spectrum antiviral agents

Ianevski, A., Žusinaite, E., Kuivanen, S. H., Strand, M., Lysvand, H., Teppor, M., Kakkola, L., Paavilainen, H., Laajala, M., Kallio‐Kokko, H., et al. (2018) · Antiviral Research · doi:10.1016/j.antiviral.2018.04.016 · Cited by 71 · see citing works

The molecular docking of 1,4-naphthoquinone derivatives as inhibitors of Polo-like kinase 1 using Molegro Virtual Docker

(2014) · Journal of Applied Pharmaceutical Science · doi:10.7324/japs.2014.4119 · Cited by 68 · see citing works

Identification of Broad-Spectrum Antiviral Compounds by Targeting Viral Entry

Mazzon, M., Ortega‐Prieto, A. M., Imrie, D., Luft, C., Hess, L., Czieso, S., Grove, J., Skelton, J. K., Farleigh, L. E., Bugert, J. J., et al. (2019) · Viruses · doi:10.3390/v11020176 · Cited by 65 · see citing works

Virus strain from a mild COVID-19 patient in Hangzhou represents a new trend in SARS-CoV-2 evolution potentially related to Furin cleavage site

Jin, X., Xu, K., Jiang, P., Lian, J., Hao, S., Yao, H., Jia, H., Zhang, Y., Zheng, L., zheng, N., et al. (2020) · Emerging Microbes & Infections · doi:10.1080/22221751.2020.1781551 · Cited by 59 · see citing works

Silvestrol Inhibits Chikungunya Virus Replication

Henß, L., Scholz, T., Grünweller, A., & Schnierle, B. S. (2018) · Viruses · doi:10.3390/v10110592 · Cited by 51 · see citing works

Structural basis for receptor recognition by the novel coronavirus from WuhanPreprint

Shang, J., Ye, G., Shi, K., et al. (2020) · Research Square · doi:10.21203/rs.2.24749/v1 · Cited by 49 · see citing works

Repurposing Approved Drugs as Inhibitors of Kv7.1 and Nav1.8 to Treat Pitt Hopkins Syndrome

Ekins, S., Gerlach, J., Zorn, K. M., Antonio, B. M., Lin, Z., & Gerlach, A. C. (2019) · Pharmaceutical Research · doi:10.1007/s11095-019-2671-y · Cited by 47 · see citing works

Energetically favorable anti-electrostatic hydrogen bonded cationic clusters in Ni(II) 3,5-dimethylpyrazole complexes: Anticancer evaluation and theoretical studies

Gogoi, A., Dutta, D., Verma, A. K., Nath, H., Frontera, A., Guha, A. K., & Bhattacharyya, M. K. (2019) · Polyhedron · doi:10.1016/j.poly.2019.04.043 · Cited by 42 · see citing works

Pharmacophores from Macromolecular Complexes with LigandScout

Wolber, G., & Kosara, R. (2006) · Methods and principles in medicinal chemistry · doi:10.1002/3527609164.ch6 · Cited by 32 · see citing works

Editorial: Drug Repositioning: Current Advances and Future Perspectives

Nishimura, Y., & Hara, H. (2018) · Frontiers in Pharmacology · doi:10.3389/fphar.2018.01068 · Cited by 32 · see citing works

Emetine Is Not Ipecac: Considerations for Its Use as Treatment for SARS-CoV2

Bleasel, M. D., & Peterson, G. M. (2020) · Pharmaceuticals · doi:10.3390/ph13120428 · Cited by 28 · see citing works

Virus strain of a mild COVID-19 patient in Hangzhou represents a new trend in SARS-CoV-2 evolution related to Furin cleavage sitePreprint

Jin, X., Xu, K., Jiang, P., et al. (2020) · medRxiv · doi:10.1101/2020.03.10.20033944 · Cited by 19 · see citing works

Docking studies of Physalis peruviana ethanol extract using molegro virtual docker on insulin tyrosine kinase receptor as antidiabetic agent

Puspaningtyas, A. R. (2014) · International Current Pharmaceutical Journal · doi:10.3329/icpj.v3i5.18534 · Cited by 14 · see citing works

Soluble IL-15/IL-15Rα complexes in human serum

Cole, D. J., & Rubinstein, M. P. (2012) · Blood · doi:10.1182/blood-2012-04-425306 · Cited by 11 · see citing works

A Quantitative Measurement of Antiviral Activity of Anti-Human Immunodeficiency Virus Type 1 Drugs against Simian Immunodeficiency Virus Infection: Dose-Response Curve Slope Strongly Influences Class-Specific Inhibitory Potential

Deng, K., Zink, M. C., Clements, J. E., & Siliciano, R. F. (2012) · Journal of Virology · doi:10.1128/jvi.01563-12 · Cited by 10 · see citing works

Nilotinib Exhibits an in Vitro Antiviral Activity Against Human Cytomegalovirus (HCMV): Potential Clinical Applications

Wolf, D. G., Oiknine‐Djian, E., Beider, K., Shimoni, A., & Nagler, A. (2012) · Blood · doi:10.1182/blood.v120.21.4666.4666 · Cited by 7 · see citing works

抗原結合に関連したモノクローナル抗体の高次構造に及ぼす化学修飾の影響を調べるための高分解能NMR法の有用性【JST・京大機械翻訳】

Majumder, S., Andrew, S. I. G., Philip, S., Liu, L. L., Elaine, S., Jason, C. R., & Arun, A. I. (2019) · Pharmaceutical Research · Cited by 2 · see citing works

Drug Repositioning: Current Advances and Future Perspectives

Nishimura, Y., & Hara, H. (2019) · Cited by 1 · see citing works

Cordyceps militaris: An Overview of Its Chemical Constituents in Relation to Biological Activity

Jędrejko, K., Lazur, J., & Muszyńska, B. (2021) · Foods · doi:10.3390/foods10112634 · Cited by 172 · see citing works

COVID-19 and cellular senescence

Schmitt, C. A., Tchkonia, T., Niedernhofer, L. J., Robbins, P. D., Kirkland, J. L., & Lee, S. (2023) · Nature Reviews Immunology · doi:10.1038/s41577-022-00785-2 · Cited by 153 · see citing works

Potent Inhibitory Activities of the Adenosine Analogue Cordycepin on SARS-CoV-2 Replication

Rabie, A. M. (2022) · ACS Omega · doi:10.1021/acsomega.1c05998 · Cited by 140 · see citing works

A brief review on the medicinal uses of Cordyceps militaris

., S., Abdullah, S., Komal, K., & Kumar, A. (2023) · Pharmacological Research - Modern Chinese Medicine · doi:10.1016/j.prmcm.2023.100228 · Cited by 52 · see citing works

Cordycepin as a Promising Inhibitor of SARS-CoV-2 RNA Dependent RNA Polymerase (RdRp)

Bibi, S., Hasan, M. M., Wang, Y., Papadakos, S. P., & Yu, H. (2021) · Current Medicinal Chemistry · doi:10.2174/0929867328666210820114025 · Cited by 47 · see citing works

COVID-19 receptor and malignant cancers: Association of CTSL expression with susceptibility to SARS-CoV-2

Zhang, L., Wei, C., Li, D., He, J., Liu, S., Deng, H., Cheng, J., Du, J., Liu, X., Chen, H., et al. (2022) · International Journal of Biological Sciences · doi:10.7150/ijbs.70172 · Cited by 47 · see citing works

Niclosamide–Clay Intercalate Coated with Nonionic Polymer for Enhanced Bioavailability toward COVID-19 Treatment

Yu, S., Piao, H., Rejinold, N. S., Jin, G., Choi, G., & Choy, J. (2021) · Polymers · doi:10.3390/polym13071044 · Cited by 41 · see citing works

Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade

Serafim, M. S. M., dos Santos, V. S., Gertrudes, J. C., Maltarollo, V. G., & Honorio, K. M. (2021) · Expert Opinion on Drug Discovery · doi:10.1080/17460441.2021.1918098 · Cited by 38 · see citing works

Cordyceps militaris—Fruiting Bodies, Mycelium, and Supplements: Valuable Component of Daily Diet

Jędrejko, K., Kała, K., Sułkowska‐Ziaja, K., Krakowska, A., Zięba, P., Marzec, K., Szewczyk, A., Sękara, A., Pytko-Polończyk, J., & Muszyńska, B. (2022) · Antioxidants · doi:10.3390/antiox11101861 · Cited by 36 · see citing works

COVID-19 disease and malignant cancers: The impact for the furin gene expression in susceptibility to SARS-CoV-2

Li, D., Liu, X., Zhang, L., He, J., Chen, X., Liu, S., Fu, J., Fu, S., Chen, H., Fu, J., et al. (2021) · International Journal of Biological Sciences · doi:10.7150/ijbs.63072 · Cited by 34 · see citing works

Machine learning enabled identification of potential SARS-CoV-2 3CLpro inhibitors based on fixed molecular fingerprints and Graph-CNN neural representations

Haneczok, J., & Delijewski, M. (2021) · Journal of Biomedical Informatics · doi:10.1016/j.jbi.2021.103821 · Cited by 26 · see citing works

Antiviral fungal metabolites and some insights into their contribution to the current COVID-19 pandemic

Takahashi, J. A., Barbosa, B. V. R., Lima, M. T. N. S., Cardoso, P. G., Contigli, C., & Pimenta, L. P. S. (2021) · Bioorganic & Medicinal Chemistry · doi:10.1016/j.bmc.2021.116366 · Cited by 26 · see citing works

An In-vitro evaluation of a polyherbal formulation, against SARS-Cov-2

Kanchibhotla, D., Subramanian, S., reddy, R., Hari Venkatesh, K. R., & Pathania, M. (2022) · Journal of Ayurveda and Integrative Medicine · doi:10.1016/j.jaim.2022.100581 · Cited by 26 · see citing works

Cordycepin exhibits both antiviral and anti-inflammatory effects against dengue virus infection

Songprakhon, P., Panya, A., Choomee, K., Limjindaporn, T., Noisakran, S., Tarasuk, M., & Yenchitsomanus, P. (2024) · iScience · doi:10.1016/j.isci.2024.110711 · Cited by 22 · see citing works

Characterizing the ligand-binding affinity toward SARS-CoV-2 Mpro via physics- and knowledge-based approaches

Ngô, S. T., Nguyen, T. H., Tùng, N. T., Vu, V. V., Quân, P. M., & Mai, B. K. (2022) · Physical Chemistry Chemical Physics · doi:10.1039/d2cp04476e · Cited by 22 · see citing works

A State-of-the-Art Survey on Artificial Intelligence to Fight COVID-19

Islam, M. M., Poly, T. N., Alsinglawi, B. S., Lin, M. C., Hsu, M., & Li, Y. (2021) · Journal of Clinical Medicine · doi:10.3390/jcm10091961 · Cited by 20 · see citing works

More Is Always Better Than One: The N-Terminal Domain of the Spike Protein as Another Emerging Target for Hampering the SARS-CoV-2 Attachment to Host Cells

Gaetano, S. D., Capasso, D., Delre, P., Pirone, L., Saviano, M., Pedone, E. M., & Mangiatordi, G. F. (2021) · International Journal of Molecular Sciences · doi:10.3390/ijms22126462 · Cited by 18 · see citing works

Half-sandwich ruthenium(II), rhodium(III) and iridium(III) fluorescent metal complexes containing pyrazoline based ligands: DNA binding, cytotoxicity and antibacterial activities

Nongpiur, C. G. L., Verma, A. K., Singh, R., Ghate, M. M., Poluri, K. M., Kaminsky, W., & Kollipara, M. R. (2022) · Journal of Inorganic Biochemistry · doi:10.1016/j.jinorgbio.2022.112059 · Cited by 18 · see citing works

Characterization of SARS-CoV-2 replication complex elongation and proofreading activity

Jones, A. N., Mourão, A., Czarna, A., Matsuda, A., Fino, R., Pyrć, K., Sattler, M., & Popowicz, G. M. (2022) · Scientific Reports · doi:10.1038/s41598-022-13380-1 · Cited by 17 · see citing works

Impact of BSG/CD147 gene expression on diagnostic, prognostic and therapeutic strategies towards malignant cancers and possible susceptibility to SARS-CoV-2

Fu, J., Song, B., Du, J., Liu, S., He, J., Xiao, T., Zhou, B., Liu, X., Liu, X., He, T., et al. (2022) · Molecular Biology Reports · doi:10.1007/s11033-022-08231-1 · Cited by 17 · see citing works

Molecular Docking and Dynamics Investigations for Identifying Potential Inhibitors of the 3-Chymotrypsin-like Protease of SARS-CoV-2: Repurposing of Approved Pyrimidonic Pharmaceuticals for COVID-19 Treatment

Elzupir, A. O. (2021) · Molecules · doi:10.3390/molecules26247458 · Cited by 16 · see citing works

Structural topologies involving energetically significant antiparallel π-stacking and unconventional N(nitrile)⋯π(fumarate) contacts in dinuclear Zn( ii ) and polymeric Mn( ii ) compounds: antiproliferative evaluation and theoretical studies

Sharma, P., Baishya, T., Gomila, R. M., Frontera, A., Barceló‐Oliver, M., Verma, A. K., Das, J., & Bhattacharyya, M. K. (2022) · New Journal of Chemistry · doi:10.1039/d1nj04786h · Cited by 13 · see citing works

Antiviral Potential of Small Molecules Cordycepin, Thymoquinone, and N6, N6-Dimethyladenosine Targeting SARS-CoV-2 Entry Protein ADAM17

He, J., Liu, S., Tan, Q., Liu, Z., Fu, J., Li, T., Wei, C., Liu, X., Mei, Z., Cheng, J., et al. (2022) · Molecules · doi:10.3390/molecules27249044 · Cited by 13 · see citing works

Predictive Analytics for Mortality: FSRNCA-FLANN Modeling Using Public Health Inventory Records

Kumar, M., Singh, S. K., & Kim, S. (2024) · IEEE Access · doi:10.1109/access.2024.3411162 · Cited by 12 · see citing works

Developing a SARS-CoV-2 main protease binding prediction random forest model for drug repurposing for COVID-19 treatment

Liu, J., Xu, L., Guo, W., Li, Z., Khan, M. K. H., Ge, W., Patterson, T. A., & Hong, H. (2023) · Experimental Biology and Medicine · doi:10.1177/15353702231209413 · Cited by 12 · see citing works

Charge assisted hydrogen bonded assemblies and unconventional O···O dichalcogen bonding interactions in pyrazole-based isostructural Ni(II) and Mn(II) compounds involving anthraquinone disulfonate: Antiproliferative evaluation and theoretical studies

Sarma, P., Sharma, P., Gomila, R. M., Frontera, A., Barceló‐Oliver, M., Verma, A. K., Baruwa, B., & Bhattacharyya, M. K. (2021) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2021.131883 · Cited by 11 · see citing works

A new glimpse on the active site of SARS-CoV-2 3CLpro, coupled with drug repurposing study

Novak, J., & Potemkin, V. (2022) · Molecular Diversity · doi:10.1007/s11030-021-10355-8 · Cited by 11 · see citing works

Repurposing Polyether Ionophores as a New-Class of Anti-SARS-Cov-2 Agents as Adjunct Therapy

Gurukkalot, K., & Rajendran, V. (2023) · Current Microbiology · doi:10.1007/s00284-023-03366-1 · Cited by 8 · see citing works

Cordycepin from Medicinal Fungi Cordyceps militaris Mitigates Inflammaging-Associated Testicular Damage via Regulating NF-κB/MAPKs Signaling in Naturally Aged Rats

Kopalli, S., Cha, K.-M., Cho, J., Kim, S.-K., & Koppula, S. (2022) · Mycobiology · doi:10.1080/12298093.2022.2035515 · Cited by 8 · see citing works

A disintegrin and metalloproteinase domain 10 expression inhibition by the small molecules adenosine, cordycepin and N6, N6-dimethyladenosine and immune regulation in malignant cancers

Zhang, W., Fu, J., Du, J., Liu, X., Cheng, J., Wei, C., Xu, Y., & Fu, J. (2024) · Frontiers in Immunology · doi:10.3389/fimmu.2024.1434027 · Cited by 8 · see citing works

Medicinal Mushrooms and Their Bioactive Compounds: From Traditional Use to Therapeutic Potential

Sadowska, A. J., Włosek-Pawełas, D., & Car, H. (2026) · Molecules · doi:10.3390/molecules31101749 · Cited by 7 · see citing works

Repurposing of Drugs Targeted Against COVID-19 Spike Receptor for Treatment: An In silico Approach

(2021) · Biointerface Research in Applied Chemistry · doi:10.33263/briac115.1374013753 · Cited by 7 · see citing works

Cordycepin and its Nucleoside Analogs for the Treatment of Systemic COVID-19 Infection

Chellapandi, P., & Saranya, S. V. (2021) · Coronaviruses · doi:10.2174/2666796702666210910111551 · Cited by 5 · see citing works

Virus-induced senescence: A therapeutic target to mitigate severe progression of SARS-COV-2

Prasanth, M. I., Brimson, J. M., & Tencomnao, T. (2023) · Expert Opinion on Therapeutic Targets · doi:10.1080/14728222.2023.2218033 · Cited by 3 · see citing works

Systems medicine framework for repurposable drug combinations for COVID-19 comorbidities

Saranya, S. V., Thamanna, L., & Chellapandi, P. (2024) · Medicine in Omics · doi:10.1016/j.meomic.2024.100038 · Cited by 3 · see citing works

Therapeutic and Prophylactic Potential of Medicinal Mushrooms in COVID-19

Parise, R., Nadar, R. M., DeRuiter, J., Pathak, S., Ramesh, S., Moore, T., Agrawal, D. C., & Dhanasekaran, M. (2023) · Springer eBooks · doi:10.1007/978-981-19-9550-7_3 · Cited by 2 · see citing works

Quest for Anti-SARS-CoV-2 antiviral therapeutics: in-silico and in-vitro analysis of edible mushroom- Cordyceps militaris

Gandhale, P. N., Chikhale, R. V., Khanal, P., Biswa, V., Ali, R., Khan, M. S., Gurav, N. S., Ayyanar, M., Das, S., & Gurav, S. S. (2024) · Journal of Ayurveda and Integrative Medicine · doi:10.1016/j.jaim.2024.100979 · Cited by 3 · see citing works

Supramolecular Assemblies and Anticancer Activities of Aminopyidine-Based Polynuclear and Mononuclear Co(II) Benzoates: Experimental and Theoretical Studies

Dutta, K. K., Baishya, T., Gomila, R. M., Frontera, A., Barceló‐Oliver, M., Verma, A. K., Das, J., & Bhattacharyya, M. K. (2025) · Inorganics · doi:10.3390/inorganics13020051 · Cited by 2 · see citing works

Therapeutic potential of Cordyceps militaris mushroom against SARS-CoV-2 : Virtual screening against Mpro and in vitro validationPreprint

Baig, M. H., Dong, J.-J., Lee, D. H., Kim, Y. G., Lee, M. K., Cho, J., Turk, A., & Vishwakarma, P. (2023) · Research Square · doi:10.21203/rs.3.rs-3598125/v1 · Cited by 2 · see citing works

Unveiling the Multifaceted Antiviral Properties of Cordyceps

Verma, A. K., Dutta, D., Das, J., & Singh, N. S. (2024) · Springer eBooks · doi:10.1007/978-981-97-6345-0_10 · Cited by 1 · see citing works

Multifaceted biocidal activities of Cordyceps militaris and synthesis of green nanoparticles: a comprehensive review

Makhija, M., Archana, T. S., & Kumar, D. (2026) · Studies in Fungi · doi:10.48130/sif-0025-0034 · Cited by 1 · see citing works

Estimating the EGFR Ligand‐Binding Affinity and Pose via Molecular Docking Simulations

Nguyen, H. A., Vu, V. V., Quang, D. T., & Ngô, S. T. (2026) · ChemistrySelect · doi:10.1002/slct.202502695 · Cited by 1 · see citing works

Role of Machine Learning in Handling the COVID-19 Pandemic

Aziz, S., Ilyas, Q. M., Mehmood, A., & Ahmad, A. (2022) · Advances in logistics, operations, and management science book series · doi:10.4018/978-1-7998-9201-4.ch011 · Cited by 1 · see citing works

Study on some biological characteristics of the albino strain of medicinal fungus Cordyceps militaris isolated in Vietnam

Do, T. K. T., Dao, N. A., Tran, B. T., Truong, T. C., Nguyen, M. N., Tran, V., & Vũ, X. T. (2023) · Ministry of Science and Technology Vietnam · doi:10.31276/vjst.65(10db).01-06 · Cited by 1 · see citing works

Research on isolation, identification, and determination of suitable conditions for the cultivation of albino Cordyceps militaris SHBTD fruiting bodies

Anh, D. N., Chiên, T. T., Trang, D. T., Tram, T. B., Nguyen, M., Dung, T. H., Tran, V., & Tạo, V. X. (2024) · Vietnam Journal of Biotechnology · doi:10.15625/vjbt-21015 · Cited by 1 · see citing works

In Vitro and In Vivo Effectiveness of GPK/B2O, A Phytocomplex in Two Experimental Flu Virus Models

Fang, H. (2021) · Open Access Journal of Pharmaceutical Research · doi:10.23880/oajpr-16000228

Cordycepin: A Molecular Trojan Horse Against Fusarium oxysporum f. sp. cubense - A Computational PerspectivePreprint

Showkat, M., Nagesha, N., Ashraf, S., Nayana, K., Bashir, S., Nair, A. S., Hussain, A., Krishnan, P., & Rajesh, R., V (2024) · Research Square · doi:10.21203/rs.3.rs-3947719/v1 · Cited by 1 · see citing works

A Mechanistic Review on Plant-derived Natural Inhibitors of Human Coronaviruses with Emphasis on SARS-COV-1 and SARS-COV-2

Durairajan, S. S. K., Guguloth, S. K., Lakshmi, A. R., Rajendran, R., Rajaram, K., Thirunavukkarasu, C., Huang, J., Zhang, H., & Senapati, S. (2021) · Current Drug Targets · doi:10.2174/1389450122666211005115313

Model exploration for discovering COVID-19 targeted traditional Chinese medicine

Sun, Y., An, X., Jin, D., Duan, L., Zhang, Y., Yang, C., Duan, Y., Zhou, R., Zhao, Y., Zhang, Y., et al. (2022) · Heliyon · doi:10.1016/j.heliyon.2022.e12333

A Molecular Modeling and Molecular Dynamics Simulations Investigation of the Potential Therapeutic Applications of Main Protease Inhibitors for SARS-CoV-2Preprint

Mushebenge, A. G.-A., Ugbaja, S. C., Mbatha, N. A., Khan, R. B., & Kumalo, H. M. (2023) · Preprints.org · doi:10.20944/preprints202308.1518.v1

Structure-Based Screening of Potential Drugs against SARS-CoV-2 Variants

Lopez, E. C. R. (2023) · International Electronic Conference on Applied Sciences (ASEC) · doi:10.3390/asec2023-15536

Nanoparticles and bioactive materials against COVID-19 and its variants: Hints from a computational-materials design perspective

de Castro, A. A., de Assis, L. C., Appel, R. J. C., da Cunha, E. F. F., Nepovimová, E., Kuča, K., Ramalho, T. C., & Porta, F. A. L. (2025) · Computers in Biology and Medicine · doi:10.1016/j.compbiomed.2025.111046

Differential Evolution for Docking Simulations

da Silva, A. D., Russo, S., Vergara, E. G., & de Azevedo, W. F. (2025) · Methods in molecular biology · doi:10.1007/978-1-0716-4949-7_14

Target-centric drug repurposing: a next-generation approach to confront antimicrobial resistance

Gogoi, I., Saikia, S., & Chetia, P. (2026) · Elsevier eBooks · doi:10.1016/b978-0-443-44748-8.00024-5

Cordycepin: a bioactive metabolite of C ordyceps militaris and polyadenylation inhibitor with therapeutic potential against COVID-19

Verma, A. K. (2020) · Journal of Biomolecular Structure and Dynamics · doi:10.1080/07391102.2020.1850352 · Cited by 58 · see citing works

Molecular Docking as a Potential Approach in Repurposing Drugs Against COVID-19: a Systematic Review and Novel Pharmacophore Models

Fadlalla, M., Ahmed, M., Ali, M. A. M., Elshiekh, A. A., & Yousef, B. A. (2022) · Current Pharmacology Reports · doi:10.1007/s40495-022-00285-w · Cited by 37 · see citing works

Repurposing drugs against the main protease of SARS-CoV-2: mechanism-based insights supported by available laboratory and clinical data

Chakraborti, S., Bheemireddy, S., & Srinivasan, N. (2020) · Molecular Omics · doi:10.1039/d0mo00057d · Cited by 42 · see citing works

Drug Repurposing to Identify Therapeutics Against COVID 19 with SARS-Cov-2 Spike Glycoprotein and Main Protease as Targets: An in Silico StudyPreprint

Kumar, A., Sharanya, C. S., Jayanandan, A., & Sadasivan, C. (2020) · ChemRxiv · doi:10.26434/chemrxiv.12090408.v1 · Cited by 7 · see citing works

Drug repurposing and polypharmacology to fight SARS-CoV-2 through the inhibition of the main proteasePreprint

Pinzi, L., Tinivella, A., Caporuscio, F., & Rastelli, G. (2020) · doi:10.21203/rs.3.rs-27222/v1 · Cited by 4 · see citing works