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Complex\n                    <jats:bold>1<\/jats:bold>\n                    was prepared by refluxing 3\u2010Cyano\u20101,5\u2010(quinolin\u20108\u2010yl)formazan ligand and mercury chloride(II) in equimolar quantity and was characterized utilizing a range of analytical methods, including single crystal X\u2010ray diffraction (SCXRD) technique. The crystal packing in complex 1 has been elucidated using supramolecular investigations, which have shown the presence of fascinating Hg\u2212Cl\u22c5\u22c5\u22c5Hg intermolecular spodium bonds of the order 3.348\u2005\u00c5. The antimicrobial activity of the formazanate\u2010based mercury(II) complex (\n                    <jats:bold>1<\/jats:bold>\n                    ) was assessed against Gram\u2010positive (\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    and\n                    <jats:italic>Bacillus subtilis<\/jats:italic>\n                    ) and Gram\u2010negative (\n                    <jats:italic>Escherichia coli<\/jats:italic>\n                    and\n                    <jats:italic>Pseudomonas aeruginosa)<\/jats:italic>\n                    bacterial pathogens. In addition, the plausible therapeutic target of the formazanate\u2010based mercury(II) complex was determined through\n                    <jats:italic>in silico<\/jats:italic>\n                    pharmacophore\u2010guided rational drug designing approach. Based on the\n                    <jats:italic>in silico<\/jats:italic>\n                    results, a conceivable molecular mechanism of the observed bactericidal action of the newly synthesized [Hg\n                    <jats:sup>II<\/jats:sup>\n                    (L)Cl] complex (\n                    <jats:bold>1<\/jats:bold>\n                    ) has also been suggested.\n                  <\/jats:p>","DOI":"10.1002\/cplu.202400696","type":"journal-article","created":{"date-parts":[[2024,12,23]],"date-time":"2024-12-23T11:29:36Z","timestamp":1734953376000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Antimicrobial Potential of a Formazanate\u2010Based Mercury(II) Complex:\n                    <i>In Vitro<\/i>\n                    \u2010 and\n                    <i>In Silico<\/i>\n                    \u2010Based Insights"],"prefix":"10.1002","volume":"90","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8890-3516","authenticated-orcid":false,"given":"Sunita","family":"Birara","sequence":"first","affiliation":[{"name":"Department of Chemistry Indian Institute of Technology  Jodhpur Rajasthan 342037 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-0051-1566","authenticated-orcid":false,"given":"Vinay","family":"Kumar Yadav","sequence":"additional","affiliation":[{"name":"Department of Bioscience and Bioengineering Indian Institute of Technology  Jodhpur Rajasthan 342037 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abinash","family":"Kumar Jena","sequence":"additional","affiliation":[{"name":"Department of Bioscience and Bioengineering Indian Institute of Technology  Jodhpur Rajasthan 342037 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8777-3353","authenticated-orcid":false,"given":"Sudipta","family":"Bhattacharyya","sequence":"additional","affiliation":[{"name":"Department of Bioscience and Bioengineering Indian Institute of Technology  Jodhpur Rajasthan 342037 India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8812-5339","authenticated-orcid":false,"given":"Ramesh K.","family":"Metre","sequence":"additional","affiliation":[{"name":"Department of Chemistry Indian Institute of Technology  Jodhpur Rajasthan 342037 India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,1,3]]},"reference":[{"key":"e_1_2_10_1_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-1-4831-9711-1.50022-3"},{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(22)02185-7"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(20)30925-9"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.1039\/D0NP00061B"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/nrmicro3028"},{"key":"e_1_2_10_6_1","doi-asserted-by":"crossref","unstructured":"I. 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