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The X-ray structure analysis of <jats:bold>1<\/jats:bold> revealed a copper complex with square-pyramdial geometry containing two O-donor nitrate ligands along with an <jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032-donor PPTA ligand and one O-donor ethanol ligand. In the binuclear structure of <jats:bold>2<\/jats:bold>, formed by the bridging of two PPTA ligands, each Ag atom has an AgN<jats:sub>3<\/jats:sub>O environment and square-planar geometry. In addition to the four dative interactions, each Ag atom interacts with two O atoms of two nitrate ligands on adjacent complexes to complete a pseudo-octahedral geometry. Density functional theory (DFT) calculations revealed that the geometry around the Cu and Ag atoms in <jats:bold>1<\/jats:bold>\n                  <jats:sup>opt<\/jats:sup> and <jats:bold>2<\/jats:bold>\n                  <jats:sup>opt<\/jats:sup> (opt is optimized) for an isolated molecule is the same as the experimental results. In <jats:bold>1<\/jats:bold>, O\u2014H...O hydrogen bonds form <jats:italic>R<\/jats:italic>\n                  <jats:sub>1<\/jats:sub>\n                  <jats:sup>2<\/jats:sup>(4) motifs. In the crystal network of the complexes, in addition to the hydrogen bonds, there are \u03c0\u2013\u03c0 stacking interactions between the aromatic rings (phenyl, pyridine and triazine) of the ligands on adjacent complexes. The ability of the ligand and complexes <jats:bold>1<\/jats:bold> and <jats:bold>2<\/jats:bold> to interact with ten selected biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS, Top II and B-DNA) was investigated by docking studies. The results show that the studied compounds can interact with proteins better than doxorubicin (except for TrxR and Top II).<\/jats:p>","DOI":"10.1107\/s2053229619011719","type":"journal-article","created":{"date-parts":[[2019,9,7]],"date-time":"2019-09-07T14:54:36Z","timestamp":1567868076000},"page":"1389-1397","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":8,"title":["Coordination of a triazine ligand with Cu<sup>II<\/sup> and Ag<sup>I<\/sup> investigated by spectral, structural, theoretical and docking studies"],"prefix":"10.1107","volume":"75","author":[{"given":"Farzin","family":"Marandi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Keyvan","family":"Moeini","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Harald","family":"Krautscheid","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2019,9,7]]},"reference":[{"key":"lf3098_bb1","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1016\/j.poly.2012.06.089","volume":"44","author":"Abdi","year":"2012","journal-title":"Polyhedron"},{"key":"lf3098_bb2","doi-asserted-by":"crossref","first-page":"1349","DOI":"10.1039\/DT9840001349","author":"Addison","year":"1984","journal-title":"J. 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