RT Journal Article T1 Novel Pyridazin-3(2H)-one-based Guanidine derivatives as potential DNA minor groove binders with anticancer activity A1 Costas Lago, María Carmen A1 Vila, Noemí A1 Rahman, Adeyemi A1 Besada Pereira, Pedro A1 Rozas, Isabel A1 Brea Floriani, José Manuel A1 Loza García, María Isabel A1 González Romero, Elisa A1 Terán Moldes, María del Carmen K1 Pyridazin-3(2H)-One K1 Guanidinium K1 DNA K1 Antiproliferative activity AB Novel aryl guanidinium analogues containing the pyridazin-3(2H)-one core were proposed as minor groove binders (MGBs) with the support of molecular docking studies. The target dicationic or monocationic compounds, which show the guanidium group at different positions of the pyridazinone moiety, were synthesized using the corresponding silyl-protected pyridazinones as key intermediates. Pyridazinone scaffolds were converted into the adequate bromoalkyl derivatives, which by reaction with N,N’-di-Boc-protected guanidine followed by acid hydrolysis provided the hydrochloride salts 1–14 in good yields. The ability of new pyridazin-3(2H)-one-based guanidines as DNA binders was studied by means of DNA UV-thermal denaturation experiments. Their antiproliferative activity was also explored in three cancer cell lines (NCI-H460, A2780, and MCF-7). Compounds 1–4 with a bis-guanidinium structure display a weak DNA binding affinity and exhibit a reasonable cellular viability inhibition percentage in the three cancer cell lines studied PB ACS Publications YR 2022 FD 2022-02-10 LK https://hdl.handle.net/10347/45122 UL https://hdl.handle.net/10347/45122 LA eng NO María Carmen Costas-Lago, Noemí Vila, Adeyemi Rahman, Pedro Besada, Isabel Rozas, José Brea, María Isabel Loza, Elisa González-Romero, and Carmen Terán ACS Medicinal Chemistry Letters 2022 13 (3), 463-469 DOI: 10.1021/acsmedchemlett.1c00633 NO This research was supported with funding from Universidade de Vigo, Irish Research Council (IRC-GOIPG/2017/956), “ERDF A way of making Europe”, and the Xunta de Galicia (ED431G 2019/02 and ED431C 2018/21) DS Minerva RD 26 abr 2026