24066-82-8Relevant articles and documents
Novel Copper-Containing Cytotoxic Agents Based on 2-Thioxoimidazolones
Krasnovskaya, Olga O.,Guk, Dmitry A.,Naumov, Alexey E.,Nikitina, Vita N.,Semkina, Alevtina S.,Vlasova, Kseniya Yu.,Pokrovsky, Vadim,Ryabaya, Oksana O.,Karshieva, Saida S.,Skvortsov, Dmitry A.,Zhirkina, Irina V.,Shafikov, Radik R.,Gorelkin, Petr V.,Vaneev, Alexander N.,Erofeev, Alexander S.,Mazur, Dmitrii M.,Tafeenko, Viktor A.,Pergushov, Vladimir I.,Melnikov, Mikhail Ya.,Soldatov, Mikhail A.,Shapovalov, Victor V.,Soldatov, Alexander V.,Akasov, Roman. A.,Gerasimov, Vasily M.,Sakharov, Dmitry A.,Moiseeva, Anna A.,Zyk, Nikolay V.,Beloglazkina, Elena K.,Majouga, Alexander G.
, p. 13031 - 13063 (2020)
A series of 73 ligands and 73 of their Cu+2 and Cu+1 copper complexes with different geometries, oxidation states of the metal, and redox activities were synthesized and characterized. The aim of the study was to establish the structure-activity relations
Systems biology approaches based discovery of a small molecule inhibitor targeting both c-Met/PARP-1 and inducing cell death in breast cancer
Chen, Jie,Cheng, Lijia,Dong, Hongbo,He, Gang,Shi, Zheng,Tang, Yong,Xiong, Hang,Xu, Guangya,Yan, Xueling,Yu, Tian,Zhou, Hui
, p. 2656 - 2666 (2020/03/13)
Breast cancer is the second most common types of cancer worldwide. Molecular strategies have developed rapidly; however, novel treatments strategies with high efficacy and lower toxicity are still urgently demanded. Notably, biological networks estimated from microarray data and functional activity network analysis could be utilized to identify and validate potential targets. In this study, two microarray data (GSE13477, GSE31192) were firstly selected, and analyzed by multi-functional activity network analysis to generate the core protein-protein-interaction (PPI) network. Several potential targets were subsequently identified and c-Met and poly (ADP-ribose) polymerase-1 (PARP-1) were manually chosen as the key targets in breast cancer. Furthermore, virtual screening and molecular dynamics (MD) simulations were utilized to recognize novel c-Met/PARP-1 inhibitors in Specs products database. Three small molecules, namely, ZINC19909930, ZINC20032678 and ZINC13562414 were selected. Additionally, these compounds were synthesized, and two breast cancer cell lines, MDA-MB-231 and MCF-7 cells were used to validate our bioinformatic findings in vitro. MTT assay and Hoechst staining showed that ZINC20032678 significantly induced breast cancer cell death, which was mediated through apoptosis by flow cytometry. Furthermore, ZINC20032678 was shown to target the active sites of the both targets and recruitment of downstream apoptotic signaling pathways, eventually inducing breast cancer cell apoptosis. Collectively, our findings not only offer systems biology approaches based drug target identification, but also provide the new clues for developing novel inhibitors for future breast cancer research.
Direct synthesis of isothiocyanates from isonitriles by molybdenum-catalyzed sulfur transfer with elemental sulfur
Adam, Waldemar,Bargon, Rainer M.,Bosio, Sara G.,Schenk, Wolfdieter A.,Stalke, Dietmar
, p. 7037 - 7041 (2007/10/03)
The direct molybdenum-catalyzed sulfuration of a variety of isonitriles with elemental sulfur or propene sulfide as sulfur donors affords the corresponding isothiocyanates in good yields and under mild reaction conditions. A catalytic cycle is suggested, in which the molybdenum oxo disulfur complex operates as the active sulfur-transferring species. A novel adduct between the isonitrile and the molybdenum complex has been characterized by X-ray analysis and its association constant determined by UV-vis spectroscopy, but this adduct appears not to be involved in the sulfur-transfer process.
