9HTI

Adduct formed during the incubation of dichloro(3-benzylbenzoselenazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL

これはPDB形式変換不可エントリーです。

9HTI の概要

• エントリーDOI: 10.2210/pdb9hti/pdb
• 分子名称: Lysozyme C, [3-(phenylmethyl)-1,3-benzoselenazol-2-ylidene]ruthenium, DIMETHYL SULFOXIDE, ... (8 entities in total)
• 機能のキーワード: complex, binder, lysozyme, ruthenium, nhc, carbene, protein binding
• 由来する生物種: Gallus gallus (chicken)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 15231.67

構造登録者

Romano-deGea, J.,Lau, K.,Dyson, P.J. (登録日: 2024-12-19, 公開日: 2026-01-14, 最終更新日: 2026-03-11)

主引用文献

Romano-deGea, J.,Sinenko, I.L.,Panzar, P.M.F.,Neves Vieira, A.,Frederiksen, L.E.K.,Glinkina, K.,Fadaei-Tirani, F.,Scopelliti, R.,Kuttler, F.,Lau, K.,Dyson, P.J.
Unconventional chalcogen-containing azolylidene metal complexes as potential anticancer therapeutics.
Chem Sci, 17:4296-4306, 2026

PubMed Abstract: Organometallic compounds with N-heterocyclic carbene (NHC) ligands have been studied for their anticancer and antimicrobial properties, with imidazole and benzimidazole derivatives being the predominant scaffolds for potential NHC-containing drugs. In contrast, chalcogen-containing azolylidene ligands, (N,Y)HCs (Y = O, S, Se), remain largely unexplored in both medicinal inorganic chemistry and, more generally, in inorganic chemistry. Consequently, to study the effect of the incorporation of a chalcogen atom in the ligand, classical (N,N)HC complexes of platinum, gold and ruthenium were selected based on their previously reported biological activity and proposed mechanisms of action, and their (N,Y)HC (Y = O, S, Se) analogues were synthesised. The electronic and steric properties of the ligands and complexes were explored and their biological activity was evaluated. The introduction of a chalcogen atom within the heterocyclic scaffold of the ligands was found to modulate their interaction with biomolecules and regulate the cytotoxicity of the metal complexes towards ovarian cancer cells.

PubMed: 41531762
DOI: 10.1039/d5sc05555e

実験手法

X-RAY DIFFRACTION (1.17 Å)