{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,26]],"date-time":"2025-11-26T16:50:16Z","timestamp":1764175816340,"version":"build-2065373602"},"reference-count":34,"publisher":"Springer Science and Business Media LLC","issue":"5","license":[{"start":{"date-parts":[[2025,6,24]],"date-time":"2025-06-24T00:00:00Z","timestamp":1750723200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2025,6,24]],"date-time":"2025-06-24T00:00:00Z","timestamp":1750723200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Virus Genes"],"published-print":{"date-parts":[[2025,10]]},"DOI":"10.1007\/s11262-025-02171-1","type":"journal-article","created":{"date-parts":[[2025,6,24]],"date-time":"2025-06-24T03:22:30Z","timestamp":1750735350000},"page":"523-534","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Targeting monkeypox virus (MPXV): strategies for molecular docking studies on protein inhibition"],"prefix":"10.1007","volume":"61","author":[{"given":"Jayant Murlidhar","family":"Kushwaha","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Majji Sai Sudha","family":"Rani","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shilpy","family":"Singh","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2025,6,24]]},"reference":[{"key":"2171_CR1","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1155\/2012\/524743","volume":"2012","author":"SN Shchelkunov","year":"2012","unstructured":"Shchelkunov SN (2012) Orthopoxvirus genes that mediate disease virulence and host tropism. Adv Virol 2012:1\u201317. https:\/\/doi.org\/10.1155\/2012\/524743","journal-title":"Adv Virol"},{"key":"2171_CR2","doi-asserted-by":"publisher","first-page":"102402","DOI":"10.1016\/j.tmaid.2022.102402","volume":"49","author":"N Luna","year":"2022","unstructured":"Luna N, Ram\u00edrez AL, Mu\u00f1oz M, Ballesteros N, Pati\u00f1o LH, Casta\u00f1eda SA, Ram\u00edrez JD (2022) Phylogenomic analysis of the monkeypox virus (MPXV) 2022 outbreak: Emergence of a novel viral lineage? Travel Med Infect Dis 49:102402. https:\/\/doi.org\/10.1016\/j.tmaid.2022.102402","journal-title":"Travel Med Infect Dis"},{"issue":"11","key":"2171_CR3","doi-asserted-by":"publisher","first-page":"1257","DOI":"10.3390\/v12111257","volume":"12","author":"E Alakunle","year":"2020","unstructured":"Alakunle E, Moens U, Nchinda G, Okeke MI (2020) Monkeypox virus in nigeria: infection biology, epidemiology, and evolution. Viruses 12(11):1257. https:\/\/doi.org\/10.3390\/v12111257","journal-title":"Viruses"},{"issue":"7","key":"2171_CR4","doi-asserted-by":"publisher","first-page":"929","DOI":"10.1016\/S1473-3099(22)00354-1","volume":"22","author":"A Zumla","year":"2022","unstructured":"Zumla A, Valdoleiros SR, Haider N, Asogun D, Ntoumi F, Petersen E, Kock R (2022) Monkeypox outbreaks outside endemic regions: scientific and social priorities. Lancet Infect Dis 22(7):929\u2013931. https:\/\/doi.org\/10.1016\/S1473-3099(22)00354-1","journal-title":"Lancet Infect Dis"},{"issue":"10","key":"2171_CR5","doi-asserted-by":"publisher","first-page":"597","DOI":"10.1038\/s41577-022-00775-4","volume":"22","author":"F-M Lum","year":"2022","unstructured":"Lum F-M, Torres-Ruesta A, Tay MZ, Lin RTP, Lye DC, R\u00e9nia L, Ng LFP (2022) Monkeypox: disease epidemiology, host immunity and clinical interventions. Nat Rev Immunol 22(10):597\u2013613. https:\/\/doi.org\/10.1038\/s41577-022-00775-4","journal-title":"Nat Rev Immunol"},{"issue":"1","key":"2171_CR6","doi-asserted-by":"publisher","first-page":"458","DOI":"10.1038\/s41392-023-01675-2","volume":"8","author":"J Lu","year":"2023","unstructured":"Lu J, Xing H, Wang C, Tang M, Wu C, Ye F, Shen L (2023) Mpox (formerly monkeypox): pathogenesis, prevention and treatment. Signal Transduct Target Ther 8(1):458. https:\/\/doi.org\/10.1038\/s41392-023-01675-2","journal-title":"Signal Transduct Target Ther"},{"key":"2171_CR7","doi-asserted-by":"publisher","DOI":"10.3389\/fcimb.2024.1414224","author":"K Sagdat","year":"2024","unstructured":"Sagdat K, Batyrkhan A, Kanayeva D (2024) Exploring monkeypox virus proteins and rapid detection techniques. Frontiers in Cell Infect Microbiol. https:\/\/doi.org\/10.3389\/fcimb.2024.1414224","journal-title":"Frontiers in Cell Infect Microbiol"},{"issue":"18","key":"2171_CR8","doi-asserted-by":"publisher","first-page":"5898","DOI":"10.3390\/molecules27185898","volume":"27","author":"D Shi","year":"2022","unstructured":"Shi D, He P, Song Y, Cheng S, Linhardt RJ, Dordick JS, Zhang F (2022) Kinetic and Structural aspects of glycosaminoglycan-monkeypox virus protein A29 interactions using surface plasmon resonance. Mol 27(18):5898. https:\/\/doi.org\/10.3390\/molecules27185898","journal-title":"Mol"},{"key":"2171_CR9","doi-asserted-by":"publisher","first-page":"125515","DOI":"10.1016\/j.ijbiomac.2023.125515","volume":"245","author":"Y Wang","year":"2023","unstructured":"Wang Y, Yang K, Zhou H (2023) Immunogenic proteins and potential delivery platforms for mpox virus vaccine development: A rapid review. Int J Biol Macromol 245:125515. https:\/\/doi.org\/10.1016\/j.ijbiomac.2023.125515","journal-title":"Int J Biol Macromol"},{"issue":"2","key":"2171_CR10","doi-asserted-by":"publisher","first-page":"105957","DOI":"10.1016\/j.isci.2023.105957","volume":"26","author":"R Yefet","year":"2023","unstructured":"Yefet R, Friedel N, Tamir H, Polonsky K, Mor M, Cherry-Mimran L, Taleb E, Hagin D, Sprecher E, Israely T, Freund NT (2023) Monkeypox infection elicits strong antibody and B cell response against A35R and H3L antigens. IScience 26(2):105957. https:\/\/doi.org\/10.1016\/j.isci.2023.105957","journal-title":"IScience"},{"issue":"6","key":"2171_CR11","doi-asserted-by":"publisher","first-page":"1224","DOI":"10.3390\/v14061224","volume":"14","author":"Y Khlusevich","year":"2022","unstructured":"Khlusevich Y, Matveev A, Emelyanova L, Goncharova E, Golosova N, Pereverzev I, Tikunova N (2022) New p35 (H3L) epitope involved in vaccinia virus neutralization and its deimmunization. Viruses 14(6):1224. https:\/\/doi.org\/10.3390\/v14061224","journal-title":"Viruses"},{"issue":"11","key":"2171_CR12","doi-asserted-by":"publisher","first-page":"2531","DOI":"10.3390\/v14112531","volume":"14","author":"J Fantini","year":"2022","unstructured":"Fantini J, Chahinian H, Yahi N (2022) A Vaccine strategy based on the identification of an annular ganglioside binding motif in monkeypox virus protein E8L. Viruses 14(11):2531. https:\/\/doi.org\/10.3390\/v14112531","journal-title":"Viruses"},{"issue":"16","key":"2171_CR13","doi-asserted-by":"publisher","first-page":"9301","DOI":"10.1128\/JVI.01545-13","volume":"87","author":"D Byrd","year":"2013","unstructured":"Byrd D, Amet T, Hu N, Lan J, Hu S, Yu Q (2013) Primary human leukocyte subsets differentially express vaccinia virus receptors enriched in lipid rafts. J Virol 87(16):9301\u20139312. https:\/\/doi.org\/10.1128\/JVI.01545-13","journal-title":"J Virol"},{"issue":"4","key":"2171_CR14","doi-asserted-by":"publisher","first-page":"2552","DOI":"10.4049\/jimmunol.177.4.2552","volume":"177","author":"J-M Heraud","year":"2006","unstructured":"Heraud J-M, Edghill-Smith Y, Ayala V, Kalisz I, Parrino J, Kalyanaraman VS, Franchini G (2006) Subunit recombinant vaccine protects against monkeypox. The Journal of Immunol 177(4):2552\u20132564. https:\/\/doi.org\/10.4049\/jimmunol.177.4.2552","journal-title":"The Journal of Immunol"},{"issue":"3","key":"2171_CR15","doi-asserted-by":"publisher","first-page":"1093","DOI":"10.1007\/s11030-023-10636-4","volume":"28","author":"V Srivastava","year":"2024","unstructured":"Srivastava V, Naik B, Godara P, Das D, Mattaparthi VSK, Prusty D (2024) Identification of FDA-approved drugs with triple targeting mode of action for the treatment of monkeypox: a high throughput virtual screening study. Mol Diversity 28(3):1093\u20131107. https:\/\/doi.org\/10.1007\/s11030-023-10636-4","journal-title":"Mol Diversity"},{"key":"2171_CR16","doi-asserted-by":"publisher","first-page":"7173","DOI":"10.2147\/IJN.S431619","volume":"18","author":"N Meng","year":"2023","unstructured":"Meng N, Cheng X, Sun M, Zhang Y, Sun X, Liu X, Chen J (2023) Screening, Expression and Identification of Nanobody Against Monkeypox Virus A35R. Int J Nanomed 18:7173\u20137181. https:\/\/doi.org\/10.2147\/IJN.S431619","journal-title":"Int J Nanomed"},{"issue":"10","key":"2171_CR17","doi-asserted-by":"publisher","first-page":"371","DOI":"10.1107\/S2053230X22009128","volume":"78","author":"G Minasov","year":"2022","unstructured":"Minasov G, Inniss NL, Shuvalova L, Anderson WF, Satchell KJF (2022) Structure of the Monkeypox virus profilin-like protein A42R reveals potential functional differences from cellular profilins. Acta Crystallogr Sect F Struct Biol Commun 78(10):371\u2013377. https:\/\/doi.org\/10.1107\/S2053230X22009128","journal-title":"Acta Crystallogr Sect F Struct Biol Commun"},{"key":"2171_CR18","doi-asserted-by":"publisher","unstructured":"Lang Yu, Zhongzhi Luan, Xiangzheng Sun, Zhe Wang, & Hailong Yang. (2016). VinaSC: Scalable Autodock Vina with fine-grained scheduling on heterogeneous platform. In 2016 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) (pp. 790\u2013793). IEEE. https:\/\/doi.org\/10.1109\/BIBM.2016.7822624","DOI":"10.1109\/BIBM.2016.7822624"},{"key":"2171_CR19","doi-asserted-by":"publisher","first-page":"235","DOI":"10.1007\/978-1-0716-4007-4_13","volume-title":"protein bioinformatics","author":"R Radjasandirane","year":"2024","unstructured":"Radjasandirane R, de Brevern AG (2024) AlphaFold2 for protein structure prediction: best practices and critical analyses. protein bioinformatics. New York, NY, Springer, US, pp 235\u2013252"},{"issue":"12","key":"2171_CR20","doi-asserted-by":"publisher","first-page":"1764","DOI":"10.3390\/biom12121764","volume":"12","author":"S Rosignoli","year":"2022","unstructured":"Rosignoli S, Paiardini A (2022) Boosting the full potential of pymol with structural biology plugins. Biomolecules 12(12):1764. https:\/\/doi.org\/10.3390\/biom12121764","journal-title":"Biomolecules"},{"issue":"12","key":"2171_CR21","doi-asserted-by":"publisher","first-page":"1771","DOI":"10.1093\/bioinformatics\/btu097","volume":"30","author":"BG Pierce","year":"2014","unstructured":"Pierce BG, Wiehe K, Hwang H, Kim B-H, Vreven T, Weng Z (2014) ZDOCK server: interactive docking prediction of protein\u2013protein complexes and symmetric multimers. Bioinformatics 30(12):1771\u20131773. https:\/\/doi.org\/10.1093\/bioinformatics\/btu097","journal-title":"Bioinformatics"},{"issue":"9","key":"2171_CR22","doi-asserted-by":"publisher","first-page":"e24657","DOI":"10.1371\/journal.pone.0024657","volume":"6","author":"BG Pierce","year":"2011","unstructured":"Pierce BG, Hourai Y, Weng Z (2011) Accelerating protein docking in zdock using an advanced 3d convolution library. PLoS ONE 6(9):e24657. https:\/\/doi.org\/10.1371\/journal.pone.0024657","journal-title":"PLoS ONE"},{"issue":"10","key":"2171_CR23","doi-asserted-by":"publisher","first-page":"1425","DOI":"10.3390\/biom12101425","volume":"12","author":"SK Burley","year":"2022","unstructured":"Burley SK, Berman HM, Duarte JM, Feng Z, Flatt JW, Hudson BP, Zardecki C (2022) Protein data bank: a comprehensive review of 3D structure holdings and worldwide utilization by researchers, educators, and students. Biomolecules 12(10):1425. https:\/\/doi.org\/10.3390\/biom12101425","journal-title":"Biomolecules"},{"issue":"2","key":"2171_CR24","doi-asserted-by":"publisher","first-page":"2223669","DOI":"10.1080\/22221751.2023.2223669","volume":"12","author":"M Li","year":"2023","unstructured":"Li M, Ren Z, Wang Y, Jiang Y, Yang M, Li D, Chen J, Liang Z, Lin Y, Zeng Z, Xu R (2023) Three neutralizing mAbs induced by MPXV A29L protein recognizing different epitopes act synergistically against orthopoxvirus. Emerg microbes & infect 12(2):2223669. https:\/\/doi.org\/10.1080\/22221751.2023.2223669","journal-title":"Emerg microbes & infect"},{"issue":"22","key":"2171_CR25","doi-asserted-by":"publisher","first-page":"7718","DOI":"10.3390\/molecules27227718","volume":"27","author":"LH Bajrai","year":"2022","unstructured":"Bajrai LH, Alharbi AS, El-Day MM, Bafaraj AG, Dwivedi VD, Azhar EI (2022) Identification of Antiviral compounds against monkeypox virus profilin-like protein A42R from plantago lanceolata. Mol 27(22):7718. https:\/\/doi.org\/10.3390\/molecules27227718","journal-title":"Mol"},{"key":"2171_CR26","doi-asserted-by":"publisher","first-page":"108837","DOI":"10.1016\/j.jmgm.2024.108837","volume":"132","author":"T-T-D Pham","year":"2024","unstructured":"Pham T-T-D, Thai QM, Tuyen PNK, Phung HTT, Ngo ST (2024) Computational discovery of tripeptide inhibitors targeting monkeypox virus A42R profilin-like protein. J Mol Graph Model 132:108837. https:\/\/doi.org\/10.1016\/j.jmgm.2024.108837","journal-title":"J Mol Graph Model"},{"issue":"1","key":"2171_CR27","doi-asserted-by":"publisher","first-page":"19585","DOI":"10.1038\/s41598-024-70433-3","volume":"14","author":"R Das","year":"2024","unstructured":"Das R, Bhattarai A, Karn R, Tamang B (2024) Computational investigations of potential inhibitors of monkeypox virus envelope protein E8 through molecular docking and molecular dynamics simulations. Sci Rep 14(1):19585. https:\/\/doi.org\/10.1038\/s41598-024-70433-3","journal-title":"Sci Rep"},{"issue":"2","key":"2171_CR28","doi-asserted-by":"publisher","first-page":"570","DOI":"10.3390\/v15020570","volume":"15","author":"Y Ali","year":"2023","unstructured":"Ali Y, Imtiaz H, Tahir MM, Gul F, Saddozai UAK, ur rehman A, Ji X-Y (2023) Fragment-based approaches identified tecovirimat-competitive novel drug candidate for targeting the F13 protein of the monkeypox virus. Viruses 15(2):570. https:\/\/doi.org\/10.3390\/v15020570","journal-title":"Viruses"},{"issue":"1","key":"2171_CR29","doi-asserted-by":"publisher","first-page":"2401931","DOI":"10.1080\/22221751.2024.2401931","volume":"13","author":"Z Ren","year":"2024","unstructured":"Ren Z, Li M, Chen J, Gong X, Song S, Li D, Yang M, Yu J, Asghar S, Cui Y, Niu S (2024) Identification of mpox M1R and B6R monoclonal and bispecific antibodies that efficiently neutralize authentic mpox virus. Emerg Microbes & Infect 13(1):2401931. https:\/\/doi.org\/10.1080\/22221751.2024.2401931","journal-title":"Emerg Microbes & Infect"},{"issue":"1","key":"2171_CR30","doi-asserted-by":"publisher","first-page":"17","DOI":"10.1186\/s43088-024-00472-2","volume":"13","author":"R Islam","year":"2024","unstructured":"Islam R, Shahriar A, Uddin MR, Fatema N (2024) Immunoinformatic and molecular docking approaches: siRNA prediction to silence cell surface binding protein of monkeypox virus. Beni-Suef Univ J Basic and Appl Sci 13(1):17. https:\/\/doi.org\/10.1186\/s43088-024-00472-2","journal-title":"Beni-Suef Univ J Basic and Appl Sci"},{"issue":"5","key":"2171_CR31","doi-asserted-by":"publisher","first-page":"2169","DOI":"10.1007\/s11030-022-10550-1","volume":"27","author":"AK Sahoo","year":"2023","unstructured":"Sahoo AK, Augusthian PD, Muralitharan I, Vivek-Ananth RP, Kumar K, Kumar G, Samal A (2023) In silico identification of potential inhibitors of vital monkeypox virus proteins from FDA approved drugs. Mol Divers 27(5):2169\u20132184. https:\/\/doi.org\/10.1007\/s11030-022-10550-1","journal-title":"Mol Divers"},{"issue":"1","key":"2171_CR32","doi-asserted-by":"publisher","first-page":"5","DOI":"10.1186\/1743-422X-9-5","volume":"9","author":"SC Johnston","year":"2012","unstructured":"Johnston SC, Lin KL, Connor JH, Ruthel G, Goff A, Hensley LE (2012) In vitro inhibition of monkeypox virus production and spread by Interferon-\u03b2. Virology Journal 9(1):5. https:\/\/doi.org\/10.1186\/1743-422X-9-5","journal-title":"Virology Journal"},{"issue":"2","key":"2171_CR33","doi-asserted-by":"publisher","first-page":"455","DOI":"10.1002\/jcc.21334","volume":"31","author":"O Trott","year":"2010","unstructured":"Trott O, Olson AJ (2010) AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem 31(2):455\u2013461. https:\/\/doi.org\/10.1002\/jcc.21334","journal-title":"J Comput Chem"},{"key":"2171_CR34","doi-asserted-by":"publisher","first-page":"679","DOI":"10.1038\/s41592-022-01488-1","volume":"19","author":"M Mirdita","year":"2022","unstructured":"Mirdita M, Sch\u00fctze K, Moriwaki Y et al (2022) ColabFold: making protein folding accessible to all. Nat Methods 19:679\u2013682. https:\/\/doi.org\/10.1038\/s41592-022-01488-1","journal-title":"Nat Methods"}],"container-title":["Virus Genes"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11262-025-02171-1.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s11262-025-02171-1\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11262-025-02171-1.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,8]],"date-time":"2025-10-08T14:44:28Z","timestamp":1759934668000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s11262-025-02171-1"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,6,24]]},"references-count":34,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2025,10]]}},"alternative-id":["2171"],"URL":"https:\/\/doi.org\/10.1007\/s11262-025-02171-1","relation":{},"ISSN":["0920-8569","1572-994X"],"issn-type":[{"type":"print","value":"0920-8569"},{"type":"electronic","value":"1572-994X"}],"subject":[],"published":{"date-parts":[[2025,6,24]]},"assertion":[{"value":"24 February 2025","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"5 June 2025","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"24 June 2025","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"The authors declare no competing interests.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}},{"value":"Not applicable.","order":3,"name":"Ethics","group":{"name":"EthicsHeading","label":"Ethical approval"}},{"value":"Not applicable.","order":4,"name":"Ethics","group":{"name":"EthicsHeading","label":"Consent to participate"}},{"value":"Not applicable.","order":5,"name":"Ethics","group":{"name":"EthicsHeading","label":"Consent to publish"}}]}}