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The single-crystal X-ray diffraction structures substantiate a piano-stool octahedral geometry around the Ru(II) center of the complexes. The electronic spectra of Ru-BIS and Ru-NIS showed characteristic metal-to-ligand charge-transfer (MLCT) bands at 436 and 453 nm, respectively. The measured octanol\/water distribution coefficient (log D) values for Ru-BIS and Ru-NIS demonstrated a marked enhancement of their aqueous solubility compared to their respective ligands (BIS and NIS). The stability studies of the complexes in D2O\/DMSO-d6 (9:1) indicated a rapid aquation followed by the formation of a stable hydrolyzed species under physiological conditions. Ru-BIS and Ru-NIS bind strongly and statically to the bovine serum albumin (BSA) protein (Kb \u223c 105 M\u20131) with one ligand per binding site. Cell viability studies revealed that both Ru-BIS and Ru-NIS are biocompatible with non-malignant cells (C2C12 and L929), in defined concentration ranges. Furthermore, Ru-BIS (IC50 = 0.05 mg\/mL, 40.31 \u03bcM) exhibited greater cytotoxicity against B16 melanoma cells compared to Ru-NIS (IC50 = 0.135 mg\/mL, 215.78 \u03bcM). Microscopic evaluations of melanoma cells treated with Ru-BIS and Ru-NIS revealed that the former exhibited more mitochondrial dysfunction, apoptotic induction, and DNA double-strand breaks.<\/jats:p>","DOI":"10.1021\/acsbiomaterials.6c00960","type":"journal-article","created":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T20:01:43Z","timestamp":1787256103000},"page":"4778-4792","source":"Crossref","is-referenced-by-count":0,"title":["Architectural Tuning of Ruthenium Centers to Drive Mitochondria-Mediated Apoptosis in Melanoma Cells"],"prefix":"10.1021","volume":"12","author":[{"ORCID":"https:\/\/orcid.org\/0009-0003-5330-9722","authenticated-orcid":true,"given":"Rakesh Kumar","family":"Rai","sequence":"first","affiliation":[{"name":"Indian Institute of Technology Hyderabad , , Kandi, Sangareddy , , ,","place":["Hyderabad, Telangana, India, 502285"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2989-0575","authenticated-orcid":true,"given":"Kalyani","family":"Eswar","sequence":"additional","affiliation":[{"name":"Indian Institute of Technology Hyderabad , , Kandi, Sangareddy , , ,","place":["Hyderabad, Telangana, India, 502285"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3686-9854","authenticated-orcid":true,"given":"Girbide Amitkumar","family":"Ramakant","sequence":"additional","affiliation":[{"name":"Indian Institute of Technology Hyderabad , , Kandi, Sangareddy , , ,","place":["Hyderabad, Telangana, India, 502285"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aishwarya","family":"Tiwari","sequence":"additional","affiliation":[{"name":"Indian Institute of Technology Hyderabad , , Kandi, Sangareddy , , ,","place":["Hyderabad, Telangana, India, 502285"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3994-6760","authenticated-orcid":true,"given":"Aravind Kumar","family":"Rengan","sequence":"additional","affiliation":[{"name":"Indian Institute of Technology Hyderabad , , Kandi, Sangareddy , , ,","place":["Hyderabad, Telangana, India, 502285"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1772-135X","authenticated-orcid":true,"given":"Ganesan","family":"Prabusankar","sequence":"additional","affiliation":[{"name":"Indian Institute of Technology Hyderabad , , Kandi, Sangareddy , , ,","place":["Hyderabad, Telangana, India, 502285"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,20]]},"reference":[{"issue":"16","key":"2026091400070483000_cit1","doi-asserted-by":"publisher","first-page":"3661","DOI":"10.3390\/molecules25163661","article-title":"Thiourea-derived chelating ligands and their organometallic compounds: Investigations into their anticancer activity","volume":"25","author":"Tong","year":"2020","journal-title":"Molecules"},{"issue":"6","key":"2026091400070483000_cit2","doi-asserted-by":"publisher","first-page":"4436","DOI":"10.1021\/acs.jmedchem.1c01859","article-title":"Incorporating selenium into heterocycles and natural products\u2014 from chemical properties to pharmacological activities","volume":"65","author":"Hou","year":"2022","journal-title":"J. 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