{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T17:19:09Z","timestamp":1790183949141,"version":"4.1.0"},"reference-count":81,"publisher":"Wiley","issue":"26","license":[{"start":{"date-parts":[[2025,5,15]],"date-time":"2025-05-15T00:00:00Z","timestamp":1747267200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2025,5,15]],"date-time":"2025-05-15T00:00:00Z","timestamp":1747267200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Small"],"published-print":{"date-parts":[[2025,7]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    This study initiates the development of Ru1, a metalloantibiotic derived from\n                    <jats:italic>p<\/jats:italic>\n                    \u2010cymene, which delivers dual functionality. Our approach begins with the design and synthesis of half\u2010sandwich ruthenium complexes, Ru1\u2010Ru11. By varying the structure of the ancillary ligand, the biological activities of eleven ruthenium complexes against five bacterial strains were explored. Most active, Ru1 (4 \u00b5g mL\n                    <jats:sup>\u22121<\/jats:sup>\n                    ) and Ru 11 (1 \u00b5g mL\u22121) was solicited for further study. To assess the safety of these compounds, hemolytic activity and cytotoxicity were evaluated against human red blood cells (RBCs) and the HEK cell line, respectively. Based on these results, Ru1 was selected for further investigation. Ru1 exhibited significant efficacy against MRSA (methicillin\u2010resistant\n                    <jats:italic>S. aureus<\/jats:italic>\n                    ) and VRSA (vancomycin\u2010resistant\n                    <jats:italic>S. aureus<\/jats:italic>\n                    ). Additionally, Ru1 exhibited strong DNA\u2010binding affinity (K\n                    <jats:sub>b<\/jats:sub>\n                    = 1.73*10\n                    <jats:sup>5<\/jats:sup>\n                    M\n                    <jats:sup>\u22121<\/jats:sup>\n                    and 1.6 *10\n                    <jats:sup>5<\/jats:sup>\n                    M\n                    <jats:sup>\u22121<\/jats:sup>\n                    ). Molecular docking studies further highlighted Ru1's potent interaction with the active sites of key bacterial proteins, including\n                    <jats:italic>S. aureus<\/jats:italic>\n                    MurB, topoisomerase II DNA gyrase, and 1BNA, with binding energies of \u221212.05 kcal\/mol, \u22126.30 kcal\/mol and \u22127.77 kcal\/mol, respectively. Furthermore, Ru1 showed high photoacoustic signal intensity at 902 nm in MSOT imaging, underscoring its potential as a dual\u2010function therapeutic and diagnostic (theragnostic) agent.\n                  <\/jats:p>","DOI":"10.1002\/smll.202503986","type":"journal-article","created":{"date-parts":[[2025,5,15]],"date-time":"2025-05-15T04:19:13Z","timestamp":1747282753000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Theragnostic Dual\u2010Action Platform: Ruthenium\n                    <i>p<\/i>\n                    \u2010Cymene\u2010Derived Metalloantibiotics With NIR\u2010II Photoacoustic Spectral Signal"],"prefix":"10.1002","volume":"21","author":[{"given":"Bhumika","family":"Agrahari","sequence":"first","affiliation":[{"name":"Department of Chemistry IIT Kanpur  Kanpur 208016 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kajal","family":"Chaudhary","sequence":"additional","affiliation":[{"name":"Department of Chemistry IIT Kanpur  Kanpur 208016 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sayari","family":"Dewan","sequence":"additional","affiliation":[{"name":"Department of Chemistry IIT Kanpur  Kanpur 208016 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Himanshu","family":"Sonker","sequence":"additional","affiliation":[{"name":"Department of Chemistry IIT Kanpur  Kanpur 208016 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Arjun","family":"S.V","sequence":"additional","affiliation":[{"name":"Department of Bioengineering IISc  Bengaluru 560012 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anshuman","family":"Chandra","sequence":"additional","affiliation":[{"name":"School of Physical Sciences Jawaharlal Nehru University  New Delhi 110067 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nidhi","family":"Awasthi","sequence":"additional","affiliation":[{"name":"Department of Chemistry IIT Kanpur  Kanpur 208016 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hanumanthappa","family":"Makari","sequence":"additional","affiliation":[{"name":"Maharani's Science College for Women University of Mysore  Mysore 570005 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sanhita","family":"Sinharay","sequence":"additional","affiliation":[{"name":"Department of Bioengineering IISc  Bengaluru 560012 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5826-0719","authenticated-orcid":false,"given":"Ritika Gautam","family":"Singh","sequence":"additional","affiliation":[{"name":"Department of Chemistry IIT Kanpur  Kanpur 208016 India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,5,15]]},"reference":[{"key":"e_1_2_9_1_1","doi-asserted-by":"publisher","DOI":"10.1038\/nm1145"},{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1038\/nmicrobiol.2016.187"},{"key":"e_1_2_9_2_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.1176667"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.202300079"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1039\/C9SC06460E"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.molpharmaceut.2c01027"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1039\/C4CS00343H"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.organomet.7b00885"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1021\/jacsau.1c00262"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1039\/D2DT02696A"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2018.06.056"},{"key":"e_1_2_9_11_1","first-page":"2942","volume":"6","author":"Perez A. 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J.Bowers E.Chow H.Xu R. O.Dror M. P.Eastwood B. A.Gregersen J. L.Klepeis I.Kolossv\u00e1ry M. A.Moraes F. D.Sacerdoti J. K.Salmon Y.Shan D. 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