{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,24]],"date-time":"2026-10-24T01:58:56Z","timestamp":1792807136360,"version":"4.5.0"},"reference-count":59,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2023,2,19]],"date-time":"2023-02-19T00:00:00Z","timestamp":1676764800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"National Natural Science Foundation of China","award":["31902287"],"award-info":[{"award-number":["31902287"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"crossref"}]},{"name":"National Natural Science Foundation of China","award":["2203008"],"award-info":[{"award-number":["2203008"]}],"id":[{"id":"https:\/\/ror.org\/01h0zpd94","id-type":"ROR","asserted-by":"crossref"}]},{"name":"Kaifeng Science and Technology Development Plan","award":["31902287"],"award-info":[{"award-number":["31902287"]}]},{"name":"Kaifeng Science and Technology Development Plan","award":["2203008"],"award-info":[{"award-number":["2203008"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Viruses"],"abstract":"<jats:p>Monkeypox is a serious public health issue in tropical and subtropical areas. Antivirals that target monkeypox proteins might lead to more effective and efficient therapy. The F13 protein is essential for the growth and maturation of the monkeypox virus. F13 inhibition might be a viable therapeutic target for monkeypox. The in silico fragment-based drug discovery method for developing antivirals may provide novel therapeutic options. In this study, we generated 800 compounds based on tecovirimat, an FDA-approved drug that is efficacious at nanomolar quantities against monkeypox. These compounds were evaluated to identify the most promising fragments based on binding affinity and pharmacological characteristics. The top hits from the chemical screening were docked into the active site of the F13 protein. Molecular dynamics simulations were performed on the top two probable new candidates from molecular docking. The ligand\u2013enzyme interaction analysis revealed that the C2 ligand had lower binding free energy than the standard ligand tecovirimat. Water bridges, among other interactions, were shown to stabilize the C2 molecule. Conformational transitions and secondary structure changes in F13 protein upon C2 binding show more native three-dimensional folding of the protein. Prediction of pharmacological properties revealed that compound C2 may be promising as a drug candidate for monkeypox fever. However, additional in vitro and in vivo testing is required for validation.<\/jats:p>","DOI":"10.3390\/v15020570","type":"journal-article","created":{"date-parts":[[2023,2,20]],"date-time":"2023-02-20T04:58:23Z","timestamp":1676869103000},"page":"570","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":29,"title":["Fragment-Based Approaches Identified Tecovirimat-Competitive Novel Drug Candidate for Targeting the F13 Protein of the Monkeypox Virus"],"prefix":"10.3390","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1230-1666","authenticated-orcid":false,"given":"Yasir","family":"Ali","sequence":"first","affiliation":[{"name":"National Center for Bioinformatics, Quaid-i-Azam University, Islamabad 45320, Pakistan"},{"name":"Henan International Joint Laboratory for Nuclear Protein Regulation, School of Basic Medical Sciences, Henan University, Kaifeng 475004, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hina","family":"Imtiaz","sequence":"additional","affiliation":[{"name":"Tehsil Headquarter Hospital Bhera, Sargodha, Punjab 40540, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muhammad Mutaal","family":"Tahir","sequence":"additional","affiliation":[{"name":"District Headquarter Hospital Faisalabad, Punjab 38000, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fouzia","family":"Gul","sequence":"additional","affiliation":[{"name":"National Center for Bioinformatics, Quaid-i-Azam University, Islamabad 45320, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Umair Ali Khan","family":"Saddozai","sequence":"additional","affiliation":[{"name":"Henan International Joint Laboratory for Nuclear Protein Regulation, School of Basic Medical Sciences, Henan University, Kaifeng 475004, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7261-3645","authenticated-orcid":false,"given":"Ashfaq","family":"ur Rehman","sequence":"additional","affiliation":[{"name":"Department of Molecular Biology and Biochemistry, University of California Irvine, Irvine, CA 2697-3900, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhi-Guang","family":"Ren","sequence":"additional","affiliation":[{"name":"The First Affiliated Hospital, Henan University, Kaifeng 475004, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6798-2991","authenticated-orcid":false,"given":"Saadullah","family":"Khattak","sequence":"additional","affiliation":[{"name":"Henan International Joint Laboratory for Nuclear Protein Regulation, School of Basic Medical Sciences, Henan University, Kaifeng 475004, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xin-Ying","family":"Ji","sequence":"additional","affiliation":[{"name":"Henan International Joint Laboratory for Nuclear Protein Regulation, School of Basic Medical Sciences, Henan University, Kaifeng 475004, China"},{"name":"Kaifeng Key Laboratory for Infectious Diseases and Biosafety, Kaifeng 475004, China"},{"name":"Faculty of Basic Medical Subjects, Shu-Qing Medical College of Zhengzhou, Mazhai, Erqi District, Zhengzhou 450064, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2023,2,19]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"260","DOI":"10.1093\/cid\/cit703","article-title":"Human monkeypox","volume":"58","author":"McCollum","year":"2014","journal-title":"Clin. Infect. Dis."},{"key":"ref_2","unstructured":"WHO (2022). Monkeypox Outbreak, WHO."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"2200421","DOI":"10.2807\/1560-7917.ES.2022.27.22.2200421","article-title":"Epidemiological, clinical and virological characteristics of four cases of monkeypox support transmission through sexual contact, Italy, May 2022","volume":"27","author":"Antinori","year":"2022","journal-title":"Eurosurveillance"},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"547","DOI":"10.1056\/NEJMcpc2201244","article-title":"Case 24-2022: A 31-Year-Old Man with Perianal and Penile Ulcers, Rectal Pain, and Rash","volume":"387","author":"Basgoz","year":"2022","journal-title":"N. Engl. J. Med."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"1321","DOI":"10.1016\/S1473-3099(22)00411-X","article-title":"Demographic and clinical characteristics of confirmed human monkeypox virus cases in individuals attending a sexual health centre in London, UK: An observational analysis","volume":"22","author":"Girometti","year":"2022","journal-title":"Lancet Infect. Dis."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"196","DOI":"10.47262\/BL\/8.2.20220610","article-title":"Monkeypox virus preparation in Pakistan-Next viral zoonotic disease outbreak after COVID-19?","volume":"8","author":"Khattak","year":"2022","journal-title":"Biomed. Lett."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"1153","DOI":"10.1016\/S1473-3099(22)00228-6","article-title":"Clinical features and management of human monkeypox: A retrospective observational study in the UK","volume":"22","author":"Adler","year":"2022","journal-title":"Lancet Infect. Dis."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"2288","DOI":"10.1038\/s41591-022-02004-w","article-title":"Retrospective detection of asymptomatic monkeypox virus infections among male sexual health clinic attendees in Belgium","volume":"28","author":"Kenyon","year":"2022","journal-title":"Nat. Med."},{"key":"ref_9","first-page":"2200448","article-title":"Estimated incubation period for monkeypox cases confirmed in the Netherlands","volume":"27","author":"Miura","year":"2022","journal-title":"May Eurosurveillance"},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"2620","DOI":"10.1128\/AAC.00021-09","article-title":"Nonhuman Primates Are Protected from Smallpox Virus or Monkeypox Virus Challenges by the Antiviral Drug ST-Antimicrob","volume":"53","author":"Huggins","year":"2009","journal-title":"Agents Chemother."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"1817","DOI":"10.1128\/AAC.01596-08","article-title":"ST-246 Antiviral Efficacy in a Nonhuman Primate Monkeypox Model: Determination of the Minimal Effective Dose and Human Dose Justification","volume":"53","author":"Jordan","year":"2009","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1056\/NEJMoa1705688","article-title":"Oral Tecovirimat for the Treatment of Smallpox","volume":"379","author":"Grosenbach","year":"2018","journal-title":"N. Engl. J. Med."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"e01683-19","DOI":"10.1128\/AAC.01683-19","article-title":"Drug Development against Smallpox: Present and Future","volume":"64","author":"Delaune","year":"2020","journal-title":"Antimicrob. Agents Chemother."},{"key":"ref_14","unstructured":"EMA (2022). Tecovirimat SIGA, SIGA Technologies, Inc."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"13139","DOI":"10.1128\/JVI.79.20.13139-13149.2005","article-title":"An Orally Bioavailable Antipoxvirus Compound (ST-246) Inhibits Extracellular Virus Formation and Protects Mice from Lethal Orthopoxvirus Challenge","volume":"79","author":"Yang","year":"2005","journal-title":"J. Virol."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1099\/0022-1317-50-1-89","article-title":"Significance of Extracellular Enveloped Virus in the in vitro and in vivo Dissemination of Vaccinia","volume":"50","author":"Payne","year":"1980","journal-title":"J. Gen. Virol."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"2915","DOI":"10.1099\/0022-1317-83-12-2915","article-title":"The formation and function of extracellular enveloped vaccinia virus","volume":"83","author":"Smith","year":"2002","journal-title":"J. Gen. Virol."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"331","DOI":"10.1080\/14787210.2020.1819791","article-title":"An overview of tecovirimat for smallpox treatment and expanded anti-orthopoxvirus applications","volume":"19","author":"Russo","year":"2021","journal-title":"Expert Rev. Anti-infective Ther."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"1951","DOI":"10.1038\/s41564-022-01269-8","article-title":"Tecovirimat is effective against human monkeypox virus in vitro at nanomolar concentrations","volume":"7","author":"Gallardo","year":"2022","journal-title":"Nat. Microbiol."},{"key":"ref_20","doi-asserted-by":"crossref","unstructured":"Khattak, S., Rauf, M.A., Zaman, Q., Ali, Y., Fatima, S., Muhammad, P., Li, T., Khan, H.A., Khan, A.A., and Ngowi, E.E. (2021). Genome-Wide Analysis of Codon Usage Patterns of SARS-CoV-2 Virus Reveals Global Heterogeneity of COVID. Biomolecules, 11.","DOI":"10.3390\/biom11060912"},{"key":"ref_21","doi-asserted-by":"crossref","unstructured":"Seib, K., Dougan, G., and Rappuoli, R. (2009). The Key Role of Genomics in Modern Vaccine and Drug Design for Emerging Infectious Diseases. PLoS Genet., 5.","DOI":"10.1371\/journal.pgen.1000612"},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"628144","DOI":"10.3389\/fmolb.2021.628144","article-title":"Drug Repurposing Strategy (DRS): Emerging Approach to Identify Potential Therapeutics for Treatment of Novel Coronavirus Infection","volume":"8","author":"Sahoo","year":"2021","journal-title":"Front. Mol. Biosci."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"1847","DOI":"10.1016\/j.drudis.2022.03.006","article-title":"Structure-based drug repurposing: Traditional and advanced AI\/ML-aided methods","volume":"27","author":"Choudhury","year":"2022","journal-title":"Drug Discov. Today"},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/07391102.2022.2138550","article-title":"Identification of novel peptide inhibitors for the KRas-G12C variant to prevent oncogenic signaling","volume":"40","author":"Ajmal","year":"2022","journal-title":"Biomol. Struct. Dyn."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"497","DOI":"10.1016\/j.sbi.2010.04.003","article-title":"Structural biology in fragment-based drug design","volume":"20","author":"Murray","year":"2010","journal-title":"Curr. Opin. Struct. Biol."},{"key":"ref_26","unstructured":"Jumper, J., Evans, R., Pritzel, A., Green, T., Figurnov, M., Tunyasuvunakool, K., Ronneberger, O., Bates, R., \u017d\u00eddek, A., and Bridgland, A. (2020). Fourteenth Critical Assessment of Techniques for Protein Structure Prediction, DeepMind."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"14","DOI":"10.1002\/pro.3235","article-title":"UCSF ChimeraX: Meeting modern challenges in visualization and analysis","volume":"27","author":"Goddard","year":"2018","journal-title":"Protein Sci."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"490","DOI":"10.1002\/(SICI)1096-987X(199604)17:5\/6<490::AID-JCC1>3.0.CO;2-P","article-title":"Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94","volume":"17","author":"Halgren","year":"1996","journal-title":"J. Comput. Chem."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"1511","DOI":"10.1002\/pro.5560020916","article-title":"Verification of protein structures: Patterns of nonbonded atomic interactions","volume":"2","author":"Colovos","year":"1993","journal-title":"Protein Sci."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"5900","DOI":"10.1021\/acs.jcim.0c00767","article-title":"FragRep: A Web Server for Structure-Based Drug Design by Fragment Replacement","volume":"60","author":"Shan","year":"2020","journal-title":"J. Chem. Inf. Model."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"e99","DOI":"10.1016\/j.jinf.2022.07.001","article-title":"Targeting F13 from monkeypox virus and variola virus by tecovirimat: Molecular simulation analysis","volume":"85","author":"Li","year":"2022","journal-title":"J. Infect."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","volume":"31","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"key":"ref_33","unstructured":"Accelrys Ltd (2008). , Discovery Studio, v2.1, Accelrys Ltd."},{"key":"ref_34","first-page":"82","article-title":"Pymol: An open-source molecular graphics tool","volume":"40","author":"DeLano","year":"2002","journal-title":"CCP4 Newsl. Protein Crystallogr."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"42717","DOI":"10.1038\/srep42717","article-title":"SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules","volume":"7","author":"Daina","year":"2017","journal-title":"Sci. Rep."},{"key":"ref_36","doi-asserted-by":"crossref","unstructured":"Bowers, K.J., Chow, E., Xu, H., Dror, R.O., Eastwood, M.P., Gregersen, B.A., Klepeis, J.L., Kolossvary, I., Moraes, M.A., and Sacerdoti, F.D. (2006, January 11\u201317). Scalable algorithms for molecular dynamics simulations on commodity clusters. Proceedings of the 2006 ACM\/IEEE Conference on Supercomputing, Tampa, FL, USA.","DOI":"10.1145\/1188455.1188544"},{"key":"ref_37","doi-asserted-by":"crossref","unstructured":"Ali, Y., Ahmad, F., Ullah, M.F., Haq, N.U., Haq, M.I.U., Aziz, A., Zouidi, F., Khan, M.I., and Eldin, S.M. (2022). Structural Evaluation and Conformational Dynamics of ZNF141T474I Mutation Provoking Postaxial Polydactyly Type A. Bioengineering, 9.","DOI":"10.3390\/bioengineering9120749"},{"key":"ref_38","doi-asserted-by":"crossref","unstructured":"Shah, A.A., Amjad, M., Hassan, J.-U., Ullah, A., Mahmood, A., Deng, H., Ali, Y., Gul, F., and Xia, K. (2022). Molecular Insights into the Role of Pathogenic nsSNPs in GRIN2B Gene Provoking Neurodevelopmental Disorders. Genes, 13.","DOI":"10.3390\/genes13081332"},{"key":"ref_39","doi-asserted-by":"crossref","unstructured":"Ahmad, S.U., Ali, Y., Jan, Z., Rasheed, S., Nazir, N.U.A., Khan, A., Abbas, S.R., Wadood, A., and Rehman, A.U. (2022). Computational screening and analysis of deleterious nsSNPs in human p14ARF (CDKN2A gene) protein using molecular dynamic simulation approach. J. Biomol. Struct. Dyn., 1\u201312.","DOI":"10.1080\/07391102.2022.2059570"},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison of simple potential functions for simulating liquid water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J. Chem. Phys."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1002\/1096-987X(20010415)22:5<501::AID-JCC1021>3.0.CO;2-V","article-title":"A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations","volume":"22","year":"2001","journal-title":"J. Comput. Chem."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"1318","DOI":"10.1002\/jcc.20267","article-title":"A fast, scalable method for the parallel evaluation of distance-limited pairwise particle interactions","volume":"26","author":"Shaw","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"1695","DOI":"10.1103\/PhysRevA.31.1695","article-title":"Canonical dynamics: Equilibrium phase-space distributions","volume":"31","author":"Hoover","year":"1985","journal-title":"Phys. Rev. A"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"1117","DOI":"10.1080\/00268979600100761","article-title":"Explicit reversible integrators for extended systems dynamics","volume":"87","author":"Martyna","year":"1996","journal-title":"Mol. Phys."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"1575","DOI":"10.1093\/bioinformatics\/btr168","article-title":"ProDy: Protein Dynamics Inferred from Theory and Experiments","volume":"27","author":"Bakan","year":"2011","journal-title":"Bioinformatics"},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1038\/s41586-020-2649-2","article-title":"Array programming with NumPy","volume":"585","author":"Harris","year":"2020","journal-title":"Nature"},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1109\/MCSE.2007.55","article-title":"Matplotlib: A 2D graphics environment","volume":"9","author":"Hunter","year":"2007","journal-title":"Comput. Sci. Eng."},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"839","DOI":"10.1002\/prot.22922","article-title":"Predicting protein flexibility through the prediction of local structures","volume":"79","author":"Bornot","year":"2011","journal-title":"Proteins: Struct. Funct. Bioinform."},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"144","DOI":"10.1002\/prot.20851","article-title":"Entropy capacity determines protein folding","volume":"63","author":"Galzitskaya","year":"2006","journal-title":"Proteins: Struct. Funct. Bioinform."},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"13318","DOI":"10.1021\/bi801675a","article-title":"Interaction between Cytochrome c2 and the Photosynthetic Reaction Center from Rhodobacter sphaeroides: Role of Interprotein Hydrogen Bonds in Binding and Electron Transfer","volume":"47","author":"Abresch","year":"2008","journal-title":"Biochemistry"},{"key":"ref_51","doi-asserted-by":"crossref","unstructured":"Hubbard, R.E., and Kamran Haider, M. (2010). Hydrogen Bonds in Proteins: Role and Strength. eLS.","DOI":"10.1002\/9780470015902.a0003011.pub2"},{"key":"ref_52","first-page":"593","article-title":"A human infection caused by monkeypox virus in Basankusu Territory, Democratic Republic of the Congo","volume":"46","author":"Ladnyj","year":"1972","journal-title":"Bull. World Heal. Organ."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"2661","DOI":"10.1099\/vir.0.81215-0","article-title":"A tale of two clades: Monkeypox viruses","volume":"86","author":"Likos","year":"2005","journal-title":"J. Gen. Virol."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"342","DOI":"10.1056\/NEJMoa032299","article-title":"The Detection of Monkeypox in Humans in the Western Hemisphere","volume":"350","author":"Reed","year":"2004","journal-title":"N. Engl. J. Med."},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"2005","DOI":"10.3389\/fcimb.2022.1088471","article-title":"The monkeypox diagnosis, treatments and prevention: A review","volume":"12","author":"Khattak","year":"2023","journal-title":"Front. Cell. Infect. Microbiol."},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"371","DOI":"10.1107\/S2053230X22009128","article-title":"Structure of the Monkeypox virus profilin-like protein A42R reveals potential functional differences from cellular profilins","volume":"78","author":"Minasov","year":"2022","journal-title":"Acta Crystallogr. Sect. F Struct. Biol. Commun."},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"688","DOI":"10.3390\/v4050688","article-title":"Poxvirus Cell Entry: How Many Proteins Does it Take?","volume":"4","author":"Moss","year":"2012","journal-title":"Viruses"},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"e02154-17","DOI":"10.1128\/JVI.02154-17","article-title":"Vaccinia Virus Phospholipase Protein F13 Promotes Rapid Entry of Extracellular Virions into Cells","volume":"92","author":"Bryk","year":"2018","journal-title":"J. Virol."},{"key":"ref_59","doi-asserted-by":"crossref","unstructured":"Rehman, A.U., Khurshid, B., Ali, Y., Rasheed, S., Wadood, A., Ng, H.-L., Chen, H.-F., Wei, Z., Luo, R., and Zhang, J. (2023). Computational approaches for the design of modulators targeting protein-protein interactions. Expert Opin. Drug Discov.","DOI":"10.1080\/17460441.2023.2171396"}],"container-title":["Viruses"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1999-4915\/15\/2\/570\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T18:36:30Z","timestamp":1760121390000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1999-4915\/15\/2\/570"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,2,19]]},"references-count":59,"journal-issue":{"issue":"2","published-online":{"date-parts":[[2023,2]]}},"alternative-id":["v15020570"],"URL":"https:\/\/doi.org\/10.3390\/v15020570","relation":{},"ISSN":["1999-4915"],"issn-type":[{"value":"1999-4915","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,2,19]]}}}