{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,6]],"date-time":"2026-10-06T21:07:16Z","timestamp":1791320836941,"version":"4.3.1"},"reference-count":37,"publisher":"Springer Science and Business Media LLC","license":[{"start":{"date-parts":[[2026,1,16]],"date-time":"2026-01-16T00:00:00Z","timestamp":1768521600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2026,1,16]],"date-time":"2026-01-16T00:00:00Z","timestamp":1768521600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"funder":[{"DOI":"10.13039\/501100004715","name":"Defence Science and Technology Organisation","doi-asserted-by":"publisher","award":["DST\/SRG\/00011"],"award-info":[{"award-number":["DST\/SRG\/00011"]}],"id":[{"id":"10.13039\/501100004715","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Folia Microbiol"],"DOI":"10.1007\/s12223-025-01402-0","type":"journal-article","created":{"date-parts":[[2026,1,16]],"date-time":"2026-01-16T02:33:21Z","timestamp":1768530801000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Molecular docking, dynamics and experimental approach integrated identification of phytopharmaceuticals against methicillin-resistant Staphylococcus aureus (MRSA) infection"],"prefix":"10.1007","author":[{"family":"Saima","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hitesh K","family":"Sharma","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"S.","family":"Latha","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Viney","family":"Lather","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Devesh","family":"Tewari","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ruchika","family":"Sharma","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gaurav Kumar","family":"Jain","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Deepti","family":"Pandita","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anoop","family":"Kumar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,1,16]]},"reference":[{"key":"1402_CR1","doi-asserted-by":"publisher","first-page":"928","DOI":"10.1039\/d4lf00120f","volume":"1","author":"O Agrawal","year":"2024","unstructured":"Agrawal O, Sharma HK, Chaurasia R et al (2024) Propene-bridged cyanurate tetramers decorated on carbon nanosheets with antibacterial activity: insights from molecular modeling and in vitro studies. RSC Appl Interfaces 1:928\u2013943. https:\/\/doi.org\/10.1039\/d4lf00120f","journal-title":"RSC Appl Interfaces"},{"key":"1402_CR2","doi-asserted-by":"publisher","DOI":"10.1016\/j.prenap.2025.100160","volume":"6","author":"F Ahmed","year":"2025","unstructured":"Ahmed F, Sharma HK, Mukherjee M et al (2025) Exploring synergistic potential of phytomolecules-antibiotics combination against Escherichia coli: an integrated approach using structure based drug design. Pharmacological Research - Natural Products 6:100160. https:\/\/doi.org\/10.1016\/j.prenap.2025.100160","journal-title":"Pharmacological Research - Natural Products"},{"key":"1402_CR3","doi-asserted-by":"publisher","DOI":"10.1038\/srep34984","volume":"6","author":"I Aier","year":"2016","unstructured":"Aier I, Varadwaj PK, Raj U (2016) Structural insights into conformational stability of both wild-type and mutant EZH2 receptor. Sci Rep 6:34984. https:\/\/doi.org\/10.1038\/srep34984","journal-title":"Sci Rep"},{"key":"1402_CR4","doi-asserted-by":"publisher","first-page":"1","DOI":"10.3390\/antibiotics9080480","volume":"9","author":"HM Alsheikh","year":"2020","unstructured":"Alsheikh HM, Al, Sultan I, Kumar V et al (2020) Plant-based phytochemicals as possible alternative to antibiotics in combating bacterial drug resistance. Antibiot (Basel) 9:1\u201323. https:\/\/doi.org\/10.3390\/antibiotics9080480","journal-title":"Antibiot (Basel)"},{"key":"1402_CR5","doi-asserted-by":"publisher","DOI":"10.1155\/2022\/6261528","volume":"2022","author":"CDK Amengor","year":"2022","unstructured":"Amengor CDK, Orman E, Danquah CA et al (2022) Pyridine-N-oxide alkaloids from Allium stipitatum and their synthetic disulfide analogs as potential drug candidates against Mycobacterium tuberculosis: a molecular docking, QSBAR, and ADMET prediction approach. Biomed Res Int 2022:6261528. https:\/\/doi.org\/10.1155\/2022\/6261528","journal-title":"Biomed Res Int"},{"key":"1402_CR6","doi-asserted-by":"publisher","first-page":"791","DOI":"10.1186\/s13063-020-04769-2","volume":"21","author":"R Bradley","year":"2020","unstructured":"Bradley R, Langley BO, Ryan JJ et al (2020) Xanthohumol Microbiome and signature in healthy adults (the XMaS trial): a phase I triple-masked, placebo-controlled clinical trial. Trials 21:791. https:\/\/doi.org\/10.1186\/s13063-020-04769-2","journal-title":"Trials"},{"key":"1402_CR7","doi-asserted-by":"publisher","first-page":"962","DOI":"10.1021\/acs.jmedchem.2c01793","volume":"66","author":"W Cheng","year":"2023","unstructured":"Cheng W, Xu T, Cui L et al (2023) Discovery of amphiphilic xanthohumol derivatives as membrane-targeting antimicrobials against methicillin-resistant Staphylococcus aureus. J Med Chem 66:962\u2013975. https:\/\/doi.org\/10.1021\/acs.jmedchem.2c01793","journal-title":"J Med Chem"},{"key":"1402_CR8","doi-asserted-by":"publisher","first-page":"433","DOI":"10.1016\/j.pop.2018.05.004","volume":"45","author":"KT Clebak","year":"2018","unstructured":"Clebak KT, Malone MA (2018) Skin infections. Prim Care 45:433\u2013454. https:\/\/doi.org\/10.1016\/j.pop.2018.05.004","journal-title":"Prim Care"},{"key":"1402_CR9","doi-asserted-by":"publisher","DOI":"10.3390\/ijms17020144","volume":"17","author":"X Du","year":"2016","unstructured":"Du X, Li Y, Xia YL et al (2016) Insights into protein-ligand interactions: mechanisms, models, and methods. Int J Mol Sci 17:144. https:\/\/doi.org\/10.3390\/ijms17020144","journal-title":"Int J Mol Sci"},{"key":"1402_CR10","doi-asserted-by":"publisher","first-page":"283","DOI":"10.1016\/j.jphs.2018.07.005","volume":"137","author":"Z Fang","year":"2018","unstructured":"Fang Z, Ban L, Li Y et al (2018) A quinoline-based FtsZ inhibitor for the study of antimicrobial activity and synergistic effects with \u03b2-lactam antibiotics. J Pharmacol Sci 137:283\u2013289. https:\/\/doi.org\/10.1016\/j.jphs.2018.07.005","journal-title":"J Pharmacol Sci"},{"key":"1402_CR11","doi-asserted-by":"publisher","first-page":"4","DOI":"10.1016\/j.jgar.2018.01.017","volume":"14","author":"M Ghahremani","year":"2018","unstructured":"Ghahremani M, Jazani NH, Sharifi Y (2018) Emergence of vancomycin-intermediate and -resistant Staphylococcus aureus among methicillin-resistant S. aureus isolated from clinical specimens in the northwest of Iran. J Glob Antimicrob Resist 14:4\u20139. https:\/\/doi.org\/10.1016\/j.jgar.2018.01.017","journal-title":"J Glob Antimicrob Resist"},{"key":"1402_CR12","doi-asserted-by":"publisher","DOI":"10.1515\/jbcpp-2019-0282","volume":"30","author":"ME Gondokesumo","year":"2020","unstructured":"Gondokesumo ME, Kurniawan IM (2020) Molecular docking study of sappan wood extract to inhibit PBP2A enzyme on methicillin-resistant Staphylococcus aureus (MRSA). J Basic Clin Physiol Pharmacol 30:20190282. https:\/\/doi.org\/10.1515\/jbcpp-2019-0282","journal-title":"J Basic Clin Physiol Pharmacol"},{"key":"1402_CR13","doi-asserted-by":"publisher","DOI":"10.3389\/fmicb.2022.993430","volume":"13","author":"S Guan","year":"2022","unstructured":"Guan S, Zhong L, Yu H et al (2022) Molecular docking and proteomics reveals the synergistic antibacterial mechanism of theaflavin with \u03b2-lactam antibiotics against MRSA. Front Microbiol 13:993430. https:\/\/doi.org\/10.3389\/fmicb.2022.993430","journal-title":"Front Microbiol"},{"key":"1402_CR14","doi-asserted-by":"publisher","first-page":"2753","DOI":"10.1007\/s42770-024-01410-1","volume":"55","author":"BN Guedes","year":"2024","unstructured":"Guedes BN, Krambeck K, Durazzo A et al (2024) Natural antibiotics against antimicrobial resistance: sources and bioinspired delivery systems. Braz J Microbiol 55:2753\u20132766. https:\/\/doi.org\/10.1007\/s42770-024-01410-1","journal-title":"Braz J Microbiol"},{"key":"1402_CR15","doi-asserted-by":"publisher","first-page":"259","DOI":"10.1007\/s13596-019-00359-z","volume":"19","author":"M Gupta","year":"2019","unstructured":"Gupta M, Sharma R, Kumar A (2019) Comparative potential of simvastatin, rosuvastatin and fluvastatin against bacterial infection: an in silico and in vitro study. Orient Pharm Exp Med 19:259\u2013275. https:\/\/doi.org\/10.1007\/s13596-019-00359-z","journal-title":"Orient Pharm Exp Med"},{"key":"1402_CR16","doi-asserted-by":"publisher","first-page":"25","DOI":"10.1093\/bmb\/ldx046","volume":"125","author":"A Henderson","year":"2018","unstructured":"Henderson A, Nimmo GR (2018) Control of healthcare- and community-associated MRSA: recent progress and persisting challenges. Br Med Bull 125:25\u201341. https:\/\/doi.org\/10.1093\/bmb\/ldx046","journal-title":"Br Med Bull"},{"key":"1402_CR17","doi-asserted-by":"publisher","first-page":"153","DOI":"10.1007\/s12275-017-6509-1","volume":"55","author":"KM Kang","year":"2017","unstructured":"Kang KM, Mishra NN, Park KT et al (2017) Phenotypic and genotypic correlates of daptomycin-resistant methicillin-susceptible Staphylococcus aureus clinical isolates. J Microbiol 55:153\u2013159. https:\/\/doi.org\/10.1007\/s12275-017-6509-1","journal-title":"J Microbiol"},{"key":"1402_CR18","doi-asserted-by":"publisher","DOI":"10.1016\/j.microb.2025.100247","volume":"6","author":"H Kaushik","year":"2025","unstructured":"Kaushik H, Sharma R, Kumar A (2025) Natural products against resistant bacterial infections: a systematic literature review. Microbe 6:100247. https:\/\/doi.org\/10.1016\/j.microb.2025.100247","journal-title":"Microbe"},{"key":"1402_CR19","doi-asserted-by":"publisher","first-page":"113","DOI":"10.18683\/germs.2018.1138","volume":"8","author":"TM Khan","year":"2018","unstructured":"Khan TM, Kok YL, Bukhsh A et al (2018) Incidence of methicillin resistant Staphylococcus aureus (MRSA) in burn intensive care unit: a systematic review. Germs 8:113\u2013125. https:\/\/doi.org\/10.18683\/germs.2018.1138","journal-title":"Germs"},{"key":"1402_CR20","doi-asserted-by":"publisher","DOI":"10.1128\/cmr.00020-18","volume":"31","author":"S Lakhundi","year":"2018","unstructured":"Lakhundi S, Zhang K (2018) Methicillin-resistant Staphylococcus aureus: molecular characterization, evolution, and epidemiology. Clin Microbiol Rev 31:e00020-18. https:\/\/doi.org\/10.1128\/cmr.00020-18","journal-title":"Clin Microbiol Rev"},{"key":"1402_CR21","doi-asserted-by":"publisher","first-page":"1035","DOI":"10.1007\/s12088-024-01228-3","volume":"64","author":"T Lan","year":"2024","unstructured":"Lan T, Zhang B, Liu JL et al (2024) Prevalence and antibiotic resistance patterns of methicillin-resistant Staphylococcus aureus (MRSA) in a hospital setting: a retrospective study from 2018 to 2022. Indian J Microbiol 64:1035\u20131043. https:\/\/doi.org\/10.1007\/s12088-024-01228-3","journal-title":"Indian J Microbiol"},{"key":"1402_CR22","doi-asserted-by":"publisher","first-page":"542","DOI":"10.1002\/jcb.25307","volume":"117","author":"P Lavanya","year":"2016","unstructured":"Lavanya P, Ramaiah S, Anbarasu A (2016) A molecular docking and dynamics study to screen potent anti-staphylococcal compounds against Ceftaroline resistant MRSA. J Cell Biochem 117:542\u2013548. https:\/\/doi.org\/10.1002\/jcb.25307","journal-title":"J Cell Biochem"},{"key":"1402_CR23","doi-asserted-by":"publisher","DOI":"10.1016\/j.phymed.2022.154073","volume":"100","author":"M Liang","year":"2022","unstructured":"Liang M, Ge X, Xua H et al (2022) Phytochemicals with activity against methicillin-resistant Staphylococcus aureus. Phytomedicine 100:154073. https:\/\/doi.org\/10.1016\/j.phymed.2022.154073","journal-title":"Phytomedicine"},{"key":"1402_CR24","doi-asserted-by":"publisher","first-page":"3","DOI":"10.1016\/s0169-409x(00)00129-0","volume":"46","author":"CA Lipinski","year":"2001","unstructured":"Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (2001) Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 46:3\u201326. https:\/\/doi.org\/10.1016\/s0169-409x(00)00129-0","journal-title":"Adv Drug Deliv Rev"},{"key":"1402_CR25","doi-asserted-by":"publisher","DOI":"10.1155\/2022\/9130700","volume":"2022","author":"M Masumi","year":"2022","unstructured":"Masumi M, Noormohammadi F, Kianisaba F et al (2022) Methicillin-resistant Staphylococcus aureus: docking-based virtual screening and molecular dynamics simulations to identify potential penicillin-binding protein 2a inhibitors from natural flavonoids. Int J Microbiol 2022:9130700. https:\/\/doi.org\/10.1155\/2022\/9130700","journal-title":"Int J Microbiol"},{"key":"1402_CR26","doi-asserted-by":"publisher","first-page":"683","DOI":"10.1007\/s00706-023-03076-1","volume":"154","author":"M Mohanty","year":"2023","unstructured":"Mohanty M, Mohanty PS (2023) Molecular docking in organic, inorganic, and hybrid systems: a tutorial review. Monatsh Chem 154:683\u2013707. https:\/\/doi.org\/10.1007\/s00706-023-03076-1","journal-title":"Monatsh Chem"},{"key":"1402_CR27","doi-asserted-by":"publisher","first-page":"399","DOI":"10.1007\/s13237-022-00405-3","volume":"65","author":"N Nasim","year":"2022","unstructured":"Nasim N, Sandeep IS, Mohanty S (2022) Plant-derived natural products for drug discovery: current approaches and prospects. Nucleus (Calcutta) 65:399\u2013411. https:\/\/doi.org\/10.1007\/s13237-022-00405-3","journal-title":"Nucleus (Calcutta)"},{"key":"1402_CR28","doi-asserted-by":"publisher","DOI":"10.3390\/molecules24152815","volume":"24","author":"MB Pisano","year":"2019","unstructured":"Pisano MB, Kumar A, Medda R et al (2019) Antibacterial activity and molecular docking studies of a selected series of hydroxy-3-arylcoumarins. Molecules 24:2815. https:\/\/doi.org\/10.3390\/molecules24152815","journal-title":"Molecules"},{"key":"1402_CR29","doi-asserted-by":"publisher","DOI":"10.1016\/j.fitote.2023.105554","volume":"168","author":"HK Sharma","year":"2023","unstructured":"Sharma HK, Gupta P, Nagpal D et al (2023) Virtual screening and antimicrobial evaluation for identification of natural compounds as the prospective inhibitors of antibacterial drug resistance targets in Staphylococcus aureus. Fitoterapia 168:105554. https:\/\/doi.org\/10.1016\/j.fitote.2023.105554","journal-title":"Fitoterapia"},{"issue":"4","key":"1402_CR30","doi-asserted-by":"publisher","DOI":"10.1007\/s12088-024-01311-9","volume":"65","author":"HK Sharma","year":"2024","unstructured":"Sharma HK, Karna A, Verma SK et al (2024) Exploring the synergistic effect of thymol with oxacillin against methicillin resistant Staphylococcus aureus. Indian J Microbiol (4):1311. https:\/\/doi.org\/10.1007\/s12088-024-01311-9","journal-title":"Indian J Microbiol"},{"key":"1402_CR31","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-025-11721-4","volume":"15","author":"HK Sharma","year":"2025","unstructured":"Sharma HK, Singh I, Karna A et al (2025a) Counteracting methicillin resistant Staphylococcus aureus through novel citral-azithromycin combination. Sci Rep 15:25548. https:\/\/doi.org\/10.1038\/s41598-025-11721-4","journal-title":"Sci Rep"},{"key":"1402_CR32","doi-asserted-by":"publisher","unstructured":"Sharma HK, Singh R, Grover A et al (2025b) Estimating the disease burden of drug-resistant bacterial infections: present trends and future risks. In: Global burden of disease - present and future [Working Title]. IntechOpen. https:\/\/doi.org\/10.5772\/intechopen.1012085","DOI":"10.5772\/intechopen.1012085"},{"key":"1402_CR33","doi-asserted-by":"publisher","first-page":"5","DOI":"10.5114\/bta.2022.113910","volume":"103","author":"A Shidiki","year":"2022","unstructured":"Shidiki A, Vyas A (2022) Molecular docking and pharmacokinetic prediction of phytochemicals from Syzygium cumini in interaction with penicillin-binding protein 2a and erythromycin ribosomal methylase of Staphylococcus aureus. Biotechnologia 103:5\u201318. https:\/\/doi.org\/10.5114\/bta.2022.113910","journal-title":"Biotechnologia"},{"key":"1402_CR34","doi-asserted-by":"publisher","first-page":"527","DOI":"10.1001\/jama.2020.0103","volume":"323","author":"SYC Tong","year":"2020","unstructured":"Tong SYC, Lye DC, Yahav D et al (2020) Effect of vancomycin or daptomycin with vs without an antistaphylococcal \u03b2-lactam on mortality, bacteremia, relapse, or treatment failure in patients with MRSA bacteremia: a randomized clinical trial. JAMA 323:527\u2013537. https:\/\/doi.org\/10.1001\/jama.2020.0103","journal-title":"JAMA"},{"key":"1402_CR35","doi-asserted-by":"publisher","first-page":"10561","DOI":"10.1080\/07391102.2021.1944911","volume":"40","author":"AK Verma","year":"2022","unstructured":"Verma AK, Ahmed SF, Hossain MS et al (2022) Molecular docking and simulation studies of flavonoid compounds against PBP-2a of methicillin-resistant Staphylococcus aureus. J Biomol Struct Dyn 40:10561\u201310577. https:\/\/doi.org\/10.1080\/07391102.2021.1944911","journal-title":"J Biomol Struct Dyn"},{"key":"1402_CR36","doi-asserted-by":"publisher","first-page":"234","DOI":"10.1089\/mdr.2020.0178","volume":"27","author":"JKY Yap","year":"2021","unstructured":"Yap JKY, Tan SYY, Tang SQ et al (2021) Synergistic antibacterial activity between 1,4-naphthoquinone and \u03b2-lactam antibiotics against methicillin-resistant Staphylococcus aureus. Microb Drug Resist 27:234\u2013240. https:\/\/doi.org\/10.1089\/mdr.2020.0178","journal-title":"Microb Drug Resist"},{"key":"1402_CR37","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2123017119","volume":"119","author":"EE Zwack","year":"2022","unstructured":"Zwack EE, Chen Z, Devlin JC et al (2022) Staphylococcus aureus induces a muted host response in human blood that blunts the recruitment of neutrophils. Proc Natl Acad Sci U S A 119:e2123017119. https:\/\/doi.org\/10.1073\/pnas.2123017119","journal-title":"Proc Natl Acad Sci U S A"}],"container-title":["Folia Microbiologica"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s12223-025-01402-0.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s12223-025-01402-0","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s12223-025-01402-0.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,1,16]],"date-time":"2026-01-16T15:04:31Z","timestamp":1768575871000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s12223-025-01402-0"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,1,16]]},"references-count":37,"alternative-id":["1402"],"URL":"https:\/\/doi.org\/10.1007\/s12223-025-01402-0","relation":{},"ISSN":["0015-5632","1874-9356"],"issn-type":[{"value":"0015-5632","type":"print"},{"value":"1874-9356","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,1,16]]},"assertion":[{"value":"23 July 2025","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"9 December 2025","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"16 January 2026","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 that they have no competing interest.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interest"}}]}}