{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T03:05:28Z","timestamp":1785294328057,"version":"3.55.0"},"reference-count":39,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2025,1,15]],"date-time":"2025-01-15T00:00:00Z","timestamp":1736899200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Ministry of Science and Higher Education of Russia"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>The interaction of sodium phytate hydrate C6H18O24P6\u00b7xNa\u00b7yH2O (phytNa) with Cu(OAc)2\u00b7H2O and 1,10-phenanthroline (phen) led to the anionic tetranuclear complex [Cu4(H2O)4(phen)4(phyt)]\u00b72Na+\u00b72NH4+\u00b732H2O (1), the structure of the latter was determined by X-ray diffraction analysis. The phytate 1 is completely deprotonated; six phosphate\u2212 fragments (with atoms P1\u2013P6) are characterized by different spatial arrangements relative to the cyclohexane ring (1a5e conformation), which determines two different types of coordination to the complexing agents\u2014P1 and P3, P4, and P6 have monodentate, while P2 and P5 are bidentately bound to Cu2+ cations. The molecular structure of the anion complex is stabilized by a set of strong intramolecular hydrogen bonds involving coordinated water molecules. Aromatic systems of phen ligands chelating copper ions participate in strong intramolecular and intermolecular \u03c0-\u03c0 interactions, further contributing to their association. At the supramolecular level, endless stacks are formed, in the voids of which sodium and ammonium cations and water molecules are present. The stability of 1 in the presence of human serum albumin (HSA) was investigated using Electron Paramagnetic Resonance (EPR) spectroscopy. Continuous wave (CW) EPR spectra in water\/glycerol frozen solution clearly indicate a presence of an exchange-coupled Cu(II)-Cu(II) dimeric unit, as well as a Cu(II) monomer-like signal arising from spins sufficiently distant from each other, with comparable contributions of two types of signals. In the presence of albumin at a 1:1 ratio (1 to albumin), the EPR spectrum changes significantly, primarily due to the reduced contribution of the S = 1 fraction showing dipole\u2013dipole splitting. The biological activity of 1 in vitro against the non-pathogenic (model for Mycobacterium tuberculosis) strain of Mycolicibacterium smegmatis is comparable to the first-line drug for tuberculosis treatment, rifampicin.<\/jats:p>","DOI":"10.3390\/molecules30020313","type":"journal-article","created":{"date-parts":[[2025,1,15]],"date-time":"2025-01-15T04:42:08Z","timestamp":1736916128000},"page":"313","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["\u00abGreen-Ligand\u00bb in Metallodrugs Design\u2014Cu(II) Complex with Phytic Acid: Synthetic Approach, EPR-Spectroscopy, and Antimycobacterial Activity"],"prefix":"10.3390","volume":"30","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3360-7899","authenticated-orcid":false,"given":"Kseniya A.","family":"Koshenskova","sequence":"first","affiliation":[{"name":"N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninsky Prosp. 31, 119991 Moscow, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Natalia V.","family":"Makarenko","sequence":"additional","affiliation":[{"name":"Institute of Chemistry of the Far Eastern Branch, Russian Academy of Sciences, Prosp. 100-Letiya Vladivostoka, 159, 690022 Vladivostok, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7716-0668","authenticated-orcid":false,"given":"Fedor M.","family":"Dolgushin","sequence":"additional","affiliation":[{"name":"N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninsky Prosp. 31, 119991 Moscow, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0320-7261","authenticated-orcid":false,"given":"Dmitriy S.","family":"Yambulatov","sequence":"additional","affiliation":[{"name":"N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninsky Prosp. 31, 119991 Moscow, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Olga B.","family":"Bekker","sequence":"additional","affiliation":[{"name":"N. I. Vavilov Institute of General Genetics, Russian Academy of Sciences, Gubkina, 3, 119333 Moscow, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0537-5755","authenticated-orcid":false,"given":"Matvey V.","family":"Fedin","sequence":"additional","affiliation":[{"name":"International Tomography Center SB RAS, Institutskaya 3a, 630090 Novosibirsk, Russia"},{"name":"Novosibirsk State University, Pirogova 1, 630090 Novosibirsk, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-2957-6769","authenticated-orcid":false,"given":"Sergei A.","family":"Dementev","sequence":"additional","affiliation":[{"name":"International Tomography Center SB RAS, Institutskaya 3a, 630090 Novosibirsk, Russia"},{"name":"Novosibirsk State University, Pirogova 1, 630090 Novosibirsk, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0777-5103","authenticated-orcid":false,"given":"Olesya A.","family":"Krumkacheva","sequence":"additional","affiliation":[{"name":"International Tomography Center SB RAS, Institutskaya 3a, 630090 Novosibirsk, Russia"},{"name":"Novosibirsk State University, Pirogova 1, 630090 Novosibirsk, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6861-1404","authenticated-orcid":false,"given":"Igor L.","family":"Eremenko","sequence":"additional","affiliation":[{"name":"N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninsky Prosp. 31, 119991 Moscow, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Irina A.","family":"Lutsenko","sequence":"additional","affiliation":[{"name":"N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninsky Prosp. 31, 119991 Moscow, Russia"},{"name":"RUDN University, Miklukho-Maklaya 6, 117198 Moscow, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,1,15]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Ming, J., Bhatti, M.Z., Ali, A., Zhang, Z., Wang, N., Mohyuddin, A., Chen, J., Zhang, Y., and Rahman, F.U. (2022). Vitamin B6 based Pt(II) complexes: Biomolecule derived potential cytotoxic agents for thyroid cancer. 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