Atasever-Arslan, BelkisKaya, BusraSahin, OnurUlkuseven, Bahri2025-03-232025-03-2320250022-28601872-8014https://doi.org/10.1016/j.molstruc.2024.140109https://hdl.handle.net/11486/6313Considering the possible antiviral effect of cobalt compounds and known pharmacological potential of thiosemicarbazones, a new combination containing cobalt(II) ions and tetradentate thiosemicarbazone was synthesized and structurally analyzed. In the complex structure (Co1), the cobalt ion is in 2+ + oxidation state and is coordinated with ONNO donor set on the thiosemicarbazone backbone. The complex molecule crystallizes in the space group P21/m and the environment of the cobalt center tends to square planar geometry. The inhibitory performance of SARS-CoV-2 and the anti-inflammatory impact of the complex molecule were investigated. It was found that Co1 has high inhibitory effects on the SARS-CoV-2 virus's 3CL main protease enzyme, ACE2:SARSCoV2 Spike RBD interaction, and IL8. Also, it showed significant anti-inflammatory effects on the release of IL6, IL8, IL10, and TGF beta 1 beta 1 cytokines and wound healing during in vitro TNF-alpha-induced inflammation. Experimental evidence demonstrates that Co1 diminishes both IL8 gene expression and protein levels. According to in silico and experimental results, it has a drug potential. Assessing the in vivo impacts of Co1 might contribute to understanding its potential as an antiviral and anti-inflammatory agent.eninfo:eu-repo/semantics/closedAccessSARS-CoV-2InflammationIL8ThiosemicarbazoneCobaltCOVID19Article132110.1016/j.molstruc.2024.1401092-s2.0-85204729566Q1WOS:001322209000001Q2