{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,4]],"date-time":"2026-07-04T11:42:50Z","timestamp":1783165370977,"version":"3.54.6"},"reference-count":75,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2021,9,20]],"date-time":"2021-09-20T00:00:00Z","timestamp":1632096000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"},{"start":{"date-parts":[[2021,9,20]],"date-time":"2021-09-20T00:00:00Z","timestamp":1632096000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Cheminform"],"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Coronavirus disease 2019 (COVID-19) is caused by a novel virus named Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). This virus induced a large number of deaths and millions of confirmed cases worldwide, creating a serious danger to public health. However, there are no specific therapies or drugs available for COVID-19 treatment. While new drug discovery is a long process, repurposing available drugs for COVID-19 can help recognize treatments with known clinical profiles. Computational drug repurposing methods can reduce the cost, time, and risk of drug toxicity. In this work, we build a graph as a COVID-19 related biological network. This network is related to virus targets or their associated biological processes. We select essential proteins in the constructed biological network that lead to a major disruption in the network. Our method from these essential proteins chooses 93 proteins related to COVID-19 pathology. Then, we propose multiple informative features based on drug\u2013target and protein\u2212protein interaction information. Through these informative features, we find five appropriate clusters of drugs that contain some candidates as potential COVID-19 treatments. To evaluate our results, we provide statistical and clinical evidence for our candidate drugs. From our proposed candidate drugs, 80% of them were studied in other studies and clinical trials.<\/jats:p>","DOI":"10.1186\/s13321-021-00553-9","type":"journal-article","created":{"date-parts":[[2021,9,20]],"date-time":"2021-09-20T13:07:47Z","timestamp":1632143267000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":29,"title":["Using informative features in machine learning based method for COVID-19 drug repurposing"],"prefix":"10.1186","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9045-9592","authenticated-orcid":false,"given":"Rosa","family":"Aghdam","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mahnaz","family":"Habibi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Golnaz","family":"Taheri","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2021,9,20]]},"reference":[{"issue":"1","key":"553_CR1","first-page":"1","volume":"1","author":"T Smith","year":"2020","unstructured":"Smith T, Bushek J, LeClaire A, Prosser T (2020) COVID-19 drug therapy. Elsevier 1(1):1\u201325","journal-title":"Elsevier"},{"issue":"1","key":"553_CR2","doi-asserted-by":"publisher","first-page":"2","DOI":"10.1093\/bib\/bbv020","volume":"17","author":"J Li","year":"2016","unstructured":"Li J, Zheng S, Chen B, Butte AJ, Swamidass SJ, Lu Z (2016) A survey of current trends in computational drug repositioning. Brief Bioinform 17(1):2\u201312","journal-title":"Brief Bioinform"},{"issue":"7","key":"553_CR3","doi-asserted-by":"publisher","first-page":"0255270","DOI":"10.1371\/journal.pone.0255270","volume":"16","author":"M Habibi","year":"2021","unstructured":"Habibi M, Taheri G (2021) Topological network based drug repurposing for coronavirus 2019. PLoS One 16(7):0255270","journal-title":"PLoS One"},{"issue":"18","key":"553_CR4","doi-asserted-by":"publisher","first-page":"2337","DOI":"10.2174\/15680266113136660164","volume":"13","author":"B Bolg\u00e1r","year":"2013","unstructured":"Bolg\u00e1r B, Arany A, Temesi G, Balogh B, Antal P, Matyus P (2013) Drug repositioning for treatment of movement disorders: from serendipity to rational discovery strategies. Curr Top Med Chem 13(18):2337\u20132363","journal-title":"Curr Top Med Chem"},{"key":"553_CR5","doi-asserted-by":"crossref","unstructured":"Forst CV (2010) Host\u2013pathogen systems biology. In: Infectious disease informatics, pp. 123\u2013147","DOI":"10.1007\/978-1-4419-1327-2_6"},{"issue":"1","key":"553_CR6","doi-asserted-by":"publisher","first-page":"35","DOI":"10.1038\/nrd.2017.162","volume":"17","author":"SH Kaufmann","year":"2018","unstructured":"Kaufmann SH, Dorhoi A, Hotchkiss RS, Bartenschlager R (2018) Host-directed therapies for bacterial and viral infections. Nat Rev Drug Discov 17(1):35","journal-title":"Nat Rev Drug Discov"},{"issue":"1","key":"553_CR7","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1038\/s41467-019-10744-6","volume":"10","author":"F Cheng","year":"2019","unstructured":"Cheng F, Lu W, Liu C, Fang J, Hou Y, Handy DE, Wang R, Zhao Y, Yang Y, Huang J et al (2019) A genome-wide positioning systems network algorithm for in silico drug repurposing. Nat Commun 10(1):1\u201314","journal-title":"Nat Commun"},{"key":"553_CR8","doi-asserted-by":"publisher","first-page":"97","DOI":"10.1007\/978-1-4939-8955-3_6","volume-title":"Computational methods for drug repurposing","author":"S Alaimo","year":"2019","unstructured":"Alaimo S, Pulvirenti A (2019) Network-based drug repositioning: approaches, resources, and research directions. In: Vanhaelen Q (ed) Computational methods for drug repurposing, vol 1903. Humana Press, New York, pp 97\u2013113"},{"issue":"5","key":"553_CR9","doi-asserted-by":"publisher","first-page":"830","DOI":"10.1093\/bib\/bbu041","volume":"16","author":"S Bandyopadhyay","year":"2015","unstructured":"Bandyopadhyay S, Ray S, Mukhopadhyay A, Maulik U (2015) A review of in silico approaches for analysis and prediction of HIV-1-human protein\u2013protein interactions. Brief Bioinform 16(5):830\u2013851","journal-title":"Brief Bioinform"},{"issue":"4","key":"553_CR10","doi-asserted-by":"publisher","first-page":"94029","DOI":"10.1371\/journal.pone.0094029","volume":"9","author":"A Mukhopadhyay","year":"2014","unstructured":"Mukhopadhyay A, Maulik U (2014) Network-based study reveals potential infection pathways of hepatitis-c leading to various diseases. PLoS One 9(4):94029","journal-title":"PLoS One"},{"issue":"7","key":"553_CR11","doi-asserted-by":"publisher","first-page":"638","DOI":"10.2174\/1386207320666170310114816","volume":"20","author":"H Cao","year":"2017","unstructured":"Cao H, Zhang Y, Zhao J, Zhu L, Wang Y, Li J, Feng Y-M, Zhang N (2017) Prediction of the Ebola virus infection related human genes using protein\u2013protein interaction network. Comb Chem High Throughput Screen 20(7):638\u2013646","journal-title":"Comb Chem High Throughput Screen"},{"issue":"1","key":"553_CR12","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1038\/s41421-020-0153-3","volume":"6","author":"Y Zhou","year":"2020","unstructured":"Zhou Y, Hou Y, Shen J, Huang Y, Martin W, Cheng F (2020) Network-based drug repurposing for novel coronavirus 2019-NCOV\/SARS-COV-2. Cell Discov 6(1):1\u201318","journal-title":"Cell Discov"},{"issue":"1","key":"553_CR13","doi-asserted-by":"publisher","first-page":"100090","DOI":"10.1016\/j.medidd.2021.100090","volume":"10","author":"X Li","year":"2021","unstructured":"Li X, Yu J, Zhang Z, Ren J, Peluffo AE, Zhang W et al (2021) Network bioinformatics analysis provides insight into drug repurposing for COVID-19. Med Drug Discov 10(1):100090","journal-title":"Med Drug Discov"},{"issue":"1","key":"553_CR14","first-page":"1","volume":"583","author":"DE Gordon","year":"2020","unstructured":"Gordon DE, Jang GM, Bouhaddou M, Xu J, Obernier K, White KM, O\u2019Meara MJ, Rezelj VV, Guo JZ, Swaney DL et al (2020) A SARS-COV-2 protein interaction map reveals targets for drug repurposing. Nature 583(1):1\u201313","journal-title":"Nature"},{"key":"553_CR15","doi-asserted-by":"publisher","DOI":"10.1101\/2020.03.29.014381","author":"K Dick","year":"2020","unstructured":"Dick K, Biggar KK, Green JR (2020) Computational prediction of the comprehensive SARS-CoV-2 vs. human Interactome to guide the design of therapeutics. bioRxiv. https:\/\/doi.org\/10.1101\/2020.03.29.014381","journal-title":"bioRxiv"},{"issue":"3","key":"553_CR16","doi-asserted-by":"publisher","first-page":"1341008","DOI":"10.1142\/S0219720013410084","volume":"11","author":"G Taheri","year":"2013","unstructured":"Taheri G, Habibi M, Wong L, Eslahchi C (2013) Disruption of protein complexes. J Bioinform Comput Biol 11(3):1341008","journal-title":"J Bioinform Comput Biol"},{"issue":"1","key":"553_CR17","doi-asserted-by":"crossref","first-page":"102","DOI":"10.1109\/TCBB.2018.2859952","volume":"17","author":"M Habibi","year":"2018","unstructured":"Habibi M, Khosravi P (2018) Disruption of the protein complexes from weighted complex networks. IEEE\/ACM Trans Comput Biol Bioinform 17(1):102\u2013109","journal-title":"IEEE\/ACM Trans Comput Biol Bioinform"},{"issue":"1","key":"553_CR18","doi-asserted-by":"publisher","first-page":"106202","DOI":"10.1016\/j.asoc.2020.106202","volume":"91","author":"G Taheri","year":"2020","unstructured":"Taheri G, Khonsari A, Entezari-Maleki R, Sousa L (2020) A hybrid algorithm for task scheduling on heterogeneous multiprocessor embedded systems. Appl Soft Comput 91(1):106202","journal-title":"Appl Soft Comput"},{"issue":"7803","key":"553_CR19","doi-asserted-by":"publisher","first-page":"402","DOI":"10.1038\/s41586-020-2188-x","volume":"580","author":"K Luck","year":"2020","unstructured":"Luck K, Kim D-K, Lambourne L, Spirohn K, Begg BE, Bian W, Brignall R, Cafarelli T, Campos-Laborie FJ, Charloteaux B et al (2020) A reference map of the human binary protein interactome. Nature 580(7803):402\u2013408","journal-title":"Nature"},{"issue":"D1","key":"553_CR20","doi-asserted-by":"publisher","first-page":"369","DOI":"10.1093\/nar\/gkw1102","volume":"45","author":"A Chatr-Aryamontri","year":"2017","unstructured":"Chatr-Aryamontri A, Oughtred R, Boucher L, Rust J, Chang C, Kolas NK, O\u2019Donnell L, Oster S, Theesfeld C, Sellam A et al (2017) The biogrid interaction database: 2017 update. Nucleic Acids Res 45(D1):369\u2013379","journal-title":"Nucleic Acids Res"},{"issue":"D1","key":"553_CR21","doi-asserted-by":"publisher","first-page":"408","DOI":"10.1093\/nar\/gkw985","volume":"45","author":"G Alanis-Lobato","year":"2016","unstructured":"Alanis-Lobato G, Andrade-Navarro MA, Schaefer MH (2016) Hippie v2. 0: enhancing meaningfulness and reliability of protein\u2013protein interaction networks. Nucleic Acids Res 45(D1):408\u2013414","journal-title":"Nucleic Acids Res"},{"issue":"D1","key":"553_CR22","first-page":"1","volume":"2019","author":"D Alonso-L\u00f3pez","year":"2019","unstructured":"Alonso-L\u00f3pez D, Campos-Laborie FJ, Guti\u00e9rrez MA, Lambourne L, Calderwood MA, Vidal M, De Las Rivas J (2019) Apid database: redefining protein\u2013protein interaction experimental evidences and binary interactomes. Database 2019(D1):1\u201310","journal-title":"Database"},{"issue":"1","key":"553_CR23","doi-asserted-by":"publisher","first-page":"21","DOI":"10.2142\/biophysics.1.21","volume":"1","author":"A Patil","year":"2005","unstructured":"Patil A, Nakamura H (2005) Hint: a database of annotated protein\u2013protein interactions and their homologs. Biophysics 1(1):21\u201324","journal-title":"Biophysics"},{"issue":"1","key":"553_CR24","doi-asserted-by":"publisher","first-page":"506","DOI":"10.1093\/nar\/gky1049","volume":"47","author":"Consortium U","year":"2019","unstructured":"Consortium U (2019) Uniprot: a worldwide hub of protein knowledge. Nucleic Acids Res 47(1):506\u2013515","journal-title":"Nucleic Acids Res"},{"issue":"1","key":"553_CR25","first-page":"330","volume":"47","author":"G Ontology","year":"2019","unstructured":"Ontology G (2019) The gene ontology resource: 20 years and still going strong. Nucleic Acids Res 47(1):330\u2013338","journal-title":"Nucleic Acids Res"},{"issue":"D1","key":"553_CR26","doi-asserted-by":"publisher","first-page":"1074","DOI":"10.1093\/nar\/gkx1037","volume":"46","author":"DS Wishart","year":"2018","unstructured":"Wishart DS, Feunang YD, Guo AC, Lo EJ, Marcu A, Grant JR, Sajed T, Johnson D, Li C, Sayeeda Z et al (2018) Drugbank 5.0: a major update to the drugbank database for 2018. Nucleic Acids Res 46(D1):1074\u20131082","journal-title":"Nucleic Acids Res"},{"key":"553_CR27","doi-asserted-by":"publisher","DOI":"10.21203\/rs.3.rs-21849\/v1","author":"M Kim","year":"2020","unstructured":"Kim M, Kim YB (2020) In silico synergistic drug repurposing for combating novel coronavirus (COVID-19) outbreaks. Res Sq. https:\/\/doi.org\/10.21203\/rs.3.rs-21849\/v1","journal-title":"Res Sq."},{"key":"553_CR28","doi-asserted-by":"publisher","DOI":"10.21203\/rs.3.rs-111615\/v1","author":"KK Oh","year":"2020","unstructured":"Oh KK, Adnan M, Cho DH (2020) SARS-COV-2 intervened by nsaids: a network pharmacology approach to decipher signaling pathway and interactive genes. Res Sq. https:\/\/doi.org\/10.21203\/rs.3.rs-111615\/v1","journal-title":"Res Sq"},{"key":"553_CR29","first-page":"e928861-1","volume":"26","author":"W Dai","year":"2020","unstructured":"Dai W, Cao D, Zhang W, Wei Y, Ding D, Li B, Gao Y, Zhao L, Jiang Y, Kong X (2020) Integrated bioinformatics analysis reveals key candidate genes and cytokine pathways involved in COVID-19 after rhinovirus infection in asthma patients. Med Sci Monit 26:e928861-1","journal-title":"Med Sci Monit"},{"issue":"4","key":"553_CR30","doi-asserted-by":"publisher","first-page":"1950","DOI":"10.1002\/jmv.26707","volume":"93","author":"EA Toraih","year":"2021","unstructured":"Toraih EA, Sedhom JA, Dokunmu TM, Hussein MH, Ruiz EM, Muthusamy K, Zerfaoui M, Kandil E (2021) Hidden in plain sight: the effects of BCG vaccination in the COVID-19 pandemic. J Med Virol 93(4):1950\u20131966","journal-title":"J Med Virol"},{"issue":"3","key":"553_CR31","doi-asserted-by":"publisher","first-page":"942","DOI":"10.1039\/C4MB00413B","volume":"11","author":"R Aghdam","year":"2015","unstructured":"Aghdam R, Ganjali M, Zhang X, Eslahchi C (2015) Cn: a consensus algorithm for inferring gene regulatory networks using the sorder algorithm and conditional mutual information test. Mol BioSyst 11(3):942\u2013949","journal-title":"Mol BioSyst"},{"issue":"1","key":"553_CR32","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1186\/s42269-021-00540-y","volume":"45","author":"R Veerabathiran","year":"2021","unstructured":"Veerabathiran R, Ragunath B, Kaviarasan V, Mohammed V, Ahmed SS (2021) Identification of selected genes associated with the SARS-COV-2: a therapeutic approach and disease severity. Bull Natl Res Centre 45(1):1\u201311","journal-title":"Bull Natl Res Centre"},{"issue":"1","key":"553_CR33","doi-asserted-by":"publisher","first-page":"29","DOI":"10.1016\/j.ijid.2020.09.1466","volume":"101","author":"S Baghaki","year":"2020","unstructured":"Baghaki S, Yalcin CE, Baghaki HS, Aydin SY, Daghan B, Yavuz E (2020) Cox2 inhibition in the treatment of COVID-19: Review of literature to propose celecoxib repositioning for randomized controlled studies. Int J Infect Dis 101(1):29\u201332","journal-title":"Int J Infect Dis"},{"key":"553_CR34","doi-asserted-by":"publisher","DOI":"10.1101\/2021.02.16.431364","author":"KS Nana","year":"2021","unstructured":"Nana KS, Karuppanan K, Kumar S (2021) Identification of common key genes and pathways between covid-19 and lung cancer by using protein\u2013protein interaction network analysis. bioRxiv. https:\/\/doi.org\/10.1101\/2021.02.16.431364","journal-title":"bioRxiv"},{"key":"553_CR35","doi-asserted-by":"publisher","first-page":"110033","DOI":"10.1016\/j.mehy.2020.110033","volume":"144","author":"MA El-Ghiaty","year":"2020","unstructured":"El-Ghiaty MA, Shoieb SM, El-Kadi AO (2020) Cytochrome p450-mediated drug interactions in COVID-19 patients: current findings and possible mechanisms. Med Hypotheses 144:110033","journal-title":"Med Hypotheses"},{"issue":"3","key":"553_CR36","doi-asserted-by":"publisher","first-page":"413","DOI":"10.3390\/v13030413","volume":"13","author":"I Fricke-Galindo","year":"2021","unstructured":"Fricke-Galindo I, Falf\u00e1n-Valencia R (2021) Pharmacogenetics approach for the improvement of COVID-19 treatment. Viruses 13(3):413","journal-title":"Viruses"},{"issue":"9","key":"553_CR37","first-page":"1","volume":"384","author":"AC Kalil","year":"2020","unstructured":"Kalil AC, Patterson TF, Mehta AK, Tomashek KM, Wolfe CR, Ghazaryan V, Marconi VC, Ruiz-Palacios GM, Hsieh L, Kline S et al (2020) Baricitinib plus remdesivir for hospitalized adults with COVID-19. N Engl J Med 384(9):1\u201313","journal-title":"N Engl J Med"},{"key":"553_CR38","doi-asserted-by":"publisher","DOI":"10.21203\/rs.3.rs-22546\/v1","author":"V Tripathi","year":"2020","unstructured":"Tripathi V, Pathak Y, Mishra A (2020) Rifampicin may be repurposed for COVID-19 treatment: Insights from an in-silico study. Res Sq. https:\/\/doi.org\/10.21203\/rs.3.rs-22546\/v1","journal-title":"Res Sq"},{"issue":"1022","key":"553_CR39","first-page":"1","volume":"14","author":"B Russell","year":"2020","unstructured":"Russell B, Moss C, George G, Santaolalla A, Cope A, Papa S, Van Hemelrijck M (2020) Associations between immune-suppressive and stimulating drugs and novel COVID-19-a systematic review of current evidence. Ecancermedicalscience 14(1022):1\u201317","journal-title":"Ecancermedicalscience"},{"issue":"1","key":"553_CR40","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/s41598-020-79139-8","volume":"11","author":"M Habibi","year":"2021","unstructured":"Habibi M, Taheri G, Aghdam R (2021) A SARS-COV-2 (COVID-19) biological network to find targets for drug repurposing. Sci Rep 11(1):1\u201315","journal-title":"Sci Rep"},{"issue":"21","key":"553_CR41","doi-asserted-by":"publisher","first-page":"4873","DOI":"10.1111\/bph.15166","volume":"177","author":"RR Rodrigues-Diez","year":"2020","unstructured":"Rodrigues-Diez RR, Tejera-Mu\u00f1oz A, Marquez-Exposito L, Rayego-Mateos S, Santos Sanchez L, Marchant V, Tejedor Santamaria L, Ramos AM, Ortiz A, Egido J et al (2020) Statins: could an old friend help in the fight against COVID-19. Br J Pharm 177(21):4873\u20134886","journal-title":"Br J Pharm"},{"key":"553_CR42","doi-asserted-by":"publisher","DOI":"10.1101\/2020.10.13.20211953","author":"A Israel","year":"2020","unstructured":"Israel A, Sch\u00e4ffer AA, Cicurel A, Feldhamer I, Tal A, Cheng K, Sinha S, Schiff E, Lavie G, Ruppin E (2020) Large population study identifies drugs associated with reduced COVID-19 severity. medRxiv. https:\/\/doi.org\/10.1101\/2020.10.13.20211953","journal-title":"medRxiv"},{"issue":"1","key":"553_CR43","doi-asserted-by":"publisher","first-page":"9965","DOI":"10.7717\/peerj.9965","volume":"8","author":"VL Kouznetsova","year":"2020","unstructured":"Kouznetsova VL, Zhang A, Tatineni M, Miller MA, Tsigelny IF (2020) Potential COVID-19 papain-like protease PLPRO inhibitors: repurposing FDA-approved drugs. PeerJ 8(1):9965","journal-title":"PeerJ"},{"key":"553_CR44","unstructured":"Cant\u00fcrk S, Singh A, St-Amant P, Behrmann J (2020) Machine-learning driven drug repurposing for COVID-19. arXiv preprint arXiv:2006.14707"},{"issue":"10","key":"553_CR45","doi-asserted-by":"publisher","first-page":"997","DOI":"10.1080\/14787210.2020.1782190","volume":"18","author":"H Singh","year":"2020","unstructured":"Singh H, Kakkar AK, Chauhan P (2020) Repurposing minocycline for COVID-19 management: mechanisms, opportunities, and challenges. Expert Rev Anti-infect Therapy 18(10):997\u20131003","journal-title":"Expert Rev Anti-infect Therapy"},{"issue":"1","key":"553_CR46","doi-asserted-by":"publisher","first-page":"10","DOI":"10.1016\/j.bbrc.2020.05.206","volume":"530","author":"PPS Tomar","year":"2020","unstructured":"Tomar PPS, Arkin IT (2020) SARS-COV-2 e protein is a potential ion channel that can be inhibited by gliclazide and memantine. Biochem Biophys Res Commun 530(1):10\u201314","journal-title":"Biochem Biophys Res Commun"},{"issue":"3","key":"553_CR47","doi-asserted-by":"publisher","first-page":"300","DOI":"10.1016\/j.amjms.2020.05.030","volume":"360","author":"C Skayem","year":"2020","unstructured":"Skayem C, Ayoub N (2020) Carvedilol and COVID-19: a potential role in reducing infectivity and infection severity of SARS-COV-2. Am J Med Sci 360(3):300","journal-title":"Am J Med Sci"},{"issue":"3","key":"553_CR48","doi-asserted-by":"publisher","first-page":"246","DOI":"10.1080\/15513815.2020.1747120","volume":"39","author":"M Karimi-Zarchi","year":"2020","unstructured":"Karimi-Zarchi M, Neamatzadeh H, Dastgheib SA, Abbasi H, Mirjalili SR, Behforouz A, Ferdosian F, Bahrami R (2020) Vertical transmission of coronavirus disease 19 (COVID-19) from infected pregnant mothers to neonates: a review. Fetal Pediatr Pathol 39(3):246\u2013250","journal-title":"Fetal Pediatr Pathol"},{"key":"553_CR49","doi-asserted-by":"publisher","DOI":"10.26434\/chemrxiv.12110199.v1","author":"CN Cavasotto","year":"2020","unstructured":"Cavasotto CN, Di Filippo JI (2020) In silico drug repurposing for COVID-19: targeting SARS-COV-2 proteins through docking and quantum mechanical scoring. Res Sq. https:\/\/doi.org\/10.26434\/chemrxiv.12110199.v1","journal-title":"Res Sq"},{"key":"553_CR50","doi-asserted-by":"publisher","unstructured":"Rivero I, Castresana M, Guala D, Sonnhammer E (2020) Drug repurposing improves disease targeting 11-fold on average. New insights from network module targeting and its application to COVID-19. https:\/\/doi.org\/10.31219\/osf.io\/4rvaz","DOI":"10.31219\/osf.io\/4rvaz"},{"issue":"1","key":"553_CR51","doi-asserted-by":"publisher","first-page":"109768","DOI":"10.1016\/j.mehy.2020.109768","volume":"140","author":"A Farouk","year":"2020","unstructured":"Farouk A, Salman S (2020) Dapsone and doxycycline could be potential treatment modalities for COVID-19. Med Hypotheses 140(1):109768","journal-title":"Med Hypotheses"},{"issue":"9","key":"553_CR52","doi-asserted-by":"publisher","first-page":"2142","DOI":"10.1016\/j.cgh.2020.04.025","volume":"18","author":"AJ Rodr\u00edguez-Morales","year":"2020","unstructured":"Rodr\u00edguez-Morales AJ, Cardona-Ospina JA, Murillo-Mu\u00f1oz MM (2020) Gastroenterologists, hepatologists, COVID-19 and the use of acetaminophen. Clin Gastroenterol Hepatol 18(9):2142\u20132143","journal-title":"Clin Gastroenterol Hepatol"},{"key":"553_CR53","unstructured":"Organization WH (2020) The use of non-steroidal anti-inflammatory drugs (nsaids) in patients with COVID-19: scientific brief, 19 April 2020. Technical documents"},{"key":"553_CR54","unstructured":"Dayer MR (2020) Old drugs for jak-stat pathway inhibition in COVID-19. arXiv preprint arXiv:2010.12332"},{"issue":"1","key":"553_CR55","first-page":"110982","volume":"133","author":"MT Kelleni","year":"2020","unstructured":"Kelleni MT (2020) Early use of non-steroidal anti-inflammatory drugs in COVID-19 might reverse pathogenesis, prevent complications and improve clinical outcomes. Biomed Pharmacother 133(1):110982","journal-title":"Biomed Pharmacother"},{"issue":"1","key":"553_CR56","doi-asserted-by":"publisher","first-page":"122","DOI":"10.1007\/s12185-020-02888-9","volume":"112","author":"A Takami","year":"2020","unstructured":"Takami A (2020) Possible role of low-dose etoposide therapy for hemophagocytic lymphohistiocytosis by COVID-19. Int J Hematol 112(1):122\u2013124","journal-title":"Int J Hematol"},{"issue":"1","key":"553_CR57","doi-asserted-by":"publisher","first-page":"9357","DOI":"10.7717\/peerj.9357","volume":"8","author":"T Loganathan","year":"2020","unstructured":"Loganathan T, Ramachandran S, Shankaran P, Nagarajan D et al (2020) Host transcriptome-guided drug repurposing for COVID-19 treatment: a meta-analysis based approach. PeerJ 8(1):9357","journal-title":"PeerJ"},{"key":"553_CR58","doi-asserted-by":"publisher","DOI":"10.26434\/chemrxiv.12003930.v1","author":"A Farag","year":"2020","unstructured":"Farag A, Wang P, Ahmed M, Sadek H (2020) Identification of FDA approved drugs targeting COVID-19 virus by structure-based drug repositioning. ChemRxiv. https:\/\/doi.org\/10.26434\/chemrxiv.12003930.v1","journal-title":"ChemRxiv"},{"key":"553_CR59","doi-asserted-by":"crossref","unstructured":"Mummed Y (2020) Molecular targets for COVID-19 drug development: enlightening nigerians about the pandemic and future treatment. Biosaf Health 2(4)","DOI":"10.1016\/j.bsheal.2020.07.002"},{"issue":"1","key":"553_CR60","first-page":"1052","volume":"5","author":"P Regidor","year":"2021","unstructured":"Regidor P, Colli E (2021) SARS COVID-19 as an immunothrombotic disease and the potential benefits of a new estrogen-free contraceptive containing drospirenone. Thromb Haemost Res 5(1):1052","journal-title":"Thromb Haemost Res"},{"issue":"4","key":"553_CR61","doi-asserted-by":"publisher","first-page":"856","DOI":"10.3390\/molecules26040856","volume":"26","author":"R Giordo","year":"2021","unstructured":"Giordo R, Zinellu A, Eid AH, Pintus G (2021) Therapeutic potential of resveratrol in COVID-19-associated hemostatic disorders. Molecules 26(4):856","journal-title":"Molecules"},{"issue":"10","key":"553_CR62","doi-asserted-by":"publisher","first-page":"1171","DOI":"10.1177\/2472555220934421","volume":"25","author":"M Scalise","year":"2020","unstructured":"Scalise M, Indiveri C (2020) Repurposing nimesulide, a potent inhibitor of the b0at1 subunit of the SARS-COV-2 receptor, as a therapeutic adjuvant of COVID-19. SLAS DISCOVERY Adv Sci Drug Discov 25(10):1171\u20131173","journal-title":"SLAS DISCOVERY Adv Sci Drug Discov"},{"key":"553_CR63","doi-asserted-by":"publisher","DOI":"10.21203\/rs.3.rs-21206\/v1","author":"LA Gonzalez-Paz","year":"2020","unstructured":"Gonzalez-Paz LA, Lossada CA, Moncayo LS, Romero F, Paz JL, Vera-Villalobos J, P\u00e9rez AE, San-Blas E, Alvarado YJ (2020) Theoretical molecular docking study of the structural disruption of the viral 3cl-protease of COVID19 induced by binding of capsaicin, piperine and curcumin part 1: a comparative study with chloroquine and hydrochloroquine two antimalaric drugs. Res Sq. https:\/\/doi.org\/10.21203\/rs.3.rs-21206\/v1","journal-title":"Res Sq"},{"issue":"3","key":"553_CR64","doi-asserted-by":"publisher","first-page":"374","DOI":"10.1002\/ddr.21757","volume":"82","author":"BN Marak","year":"2021","unstructured":"Marak BN, Dowarah J, Khiangte L, Singh VP (2021) Step toward repurposing drug discovery for COVID-19 therapeutics through in silico approach. Drug Dev Res 82(3):374\u2013392","journal-title":"Drug Dev Res"},{"issue":"1","key":"553_CR65","doi-asserted-by":"publisher","first-page":"109994","DOI":"10.1016\/j.mehy.2020.109994","volume":"144","author":"E Sotoudeh","year":"2020","unstructured":"Sotoudeh E, Sotoudeh H (2020) A hypothesis about the role of fetal hemoglobin in COVID-19. Med Hypotheses 144(1):109994","journal-title":"Med Hypotheses"},{"issue":"21","key":"553_CR66","doi-asserted-by":"publisher","first-page":"4967","DOI":"10.1111\/bph.15157","volume":"177","author":"G Esposito","year":"2020","unstructured":"Esposito G, Pesce M, Seguella L, Sanseverino W, Lu J, Corpetti C, Sarnelli G (2020) The potential of cannabidiol in the COVID-19 pandemic. Br J Pharmacol 177(21):4967\u20134970","journal-title":"Br J Pharmacol"},{"issue":"1","key":"553_CR67","doi-asserted-by":"publisher","first-page":"113","DOI":"10.1007\/s40278-021-90615-z","volume":"1841","author":"J Hayakawa","year":"2021","unstructured":"Hayakawa J (2021) Favipiravir\/loxoprofen\/paracetamol: symmetrical drug-related intertriginous and flexural exanthema: case report. React Wkly 1841(1):113","journal-title":"React Wkly"},{"key":"553_CR68","doi-asserted-by":"crossref","unstructured":"Siminea N, Popescu V, Martin JAS, Florea D, Gavril G, Gheorghe A-M, Itcus C, Kanhaiya K, Pacioglu O, Popa LI, et al. (2021) Network analytics for drug repurposing in COVID-19. arXiv preprint arXiv:2106.12297","DOI":"10.1093\/bib\/bbab490"},{"key":"553_CR69","doi-asserted-by":"crossref","unstructured":"Li F, Michelson AP, Foraker R, Zhan M, Payne PR (2020) Repurposing drugs for COVID-19 based on transcriptional response of host cells to SARS-COV-2. arXiv e-prints, 2006","DOI":"10.1186\/s12911-020-01373-x"},{"issue":"1","key":"553_CR70","first-page":"1","volume":"1","author":"K Hashimoto","year":"2021","unstructured":"Hashimoto K (2021) Repurposing of CNS drugs to treat COVID-19 infection: targeting the sigma-1 receptor. Eur Arch Psychiatry Clin Neurosci 1(1):1\u201310","journal-title":"Eur Arch Psychiatry Clin Neurosci"},{"issue":"3","key":"553_CR71","doi-asserted-by":"publisher","first-page":"347","DOI":"10.1007\/s11481-020-09939-2","volume":"15","author":"B Nobile","year":"2020","unstructured":"Nobile B, Durand M, Oli\u00e9 E, Guillaume S, Mol\u00e8s J, Haffen E, Courtet P (2020) Clomipramine could be useful in preventing neurological complications of SARS-COV-2 infection. J Neuroimmune Pharmacol 15(3):347\u2013348","journal-title":"J Neuroimmune Pharmacol"},{"issue":"9","key":"553_CR72","doi-asserted-by":"publisher","first-page":"13535","DOI":"10.1111\/ijcp.13535","volume":"74","author":"MA Marinella","year":"2020","unstructured":"Marinella MA (2020) Indomethacin and resveratrol as potential treatment adjuncts for SARS-COV-2\/COVID-19. Int J Clin Pract 74(9):13535","journal-title":"Int J Clin Pract"},{"issue":"1","key":"553_CR73","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/s13063-019-3906-2","volume":"21","author":"M Miryan","year":"2020","unstructured":"Miryan M, Bagherniya M, Sahebkar A, Soleimani D, Rouhani MH, Iraj B, Askari G (2020) Effects of curcumin-piperine co-supplementation on clinical signs, duration, severity, and inflammatory factors in patients with COVID-19: a structured summary of a study protocol for a randomised controlled trial. Trials 21(1):1\u20132","journal-title":"Trials"},{"issue":"1","key":"553_CR74","doi-asserted-by":"publisher","first-page":"173551","DOI":"10.1016\/j.ejphar.2020.173551","volume":"886","author":"VK Soni","year":"2020","unstructured":"Soni VK, Mehta A, Ratre YK, Tiwari AK, Amit A, Singh RP, Sonkar SC, Chaturvedi N, Shukla D, Vishvakarma NK (2020) Curcumin, a traditional spice component, can hold the promise against COVID-19? Eur J Pharmacol 886(1):173551","journal-title":"Eur J Pharmacol"},{"issue":"1","key":"553_CR75","first-page":"1597","volume":"11","author":"P Sestili","year":"2020","unstructured":"Sestili P, Fimognari C (2020) Paracetamol-induced glutathione consumption: is there a link with severe COVID-19 illness? Front Pharmacol 11(1):1597","journal-title":"Front Pharmacol"}],"container-title":["Journal of Cheminformatics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1186\/s13321-021-00553-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1186\/s13321-021-00553-9\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1186\/s13321-021-00553-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,9,8]],"date-time":"2024-09-08T15:57:01Z","timestamp":1725811021000},"score":1,"resource":{"primary":{"URL":"https:\/\/jcheminf.biomedcentral.com\/articles\/10.1186\/s13321-021-00553-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,9,20]]},"references-count":75,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2021,12]]}},"alternative-id":["553"],"URL":"https:\/\/doi.org\/10.1186\/s13321-021-00553-9","relation":{},"ISSN":["1758-2946"],"issn-type":[{"value":"1758-2946","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,9,20]]},"assertion":[{"value":"24 March 2021","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"6 September 2021","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"20 September 2021","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"None.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Ethics approval and consent to participate"}},{"value":"The authors declare that they have no competing interests.","order":3,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}}],"article-number":"70"}}