Cytotoxicity, Oxidative Stress, Cell Cycle Arrest, and Mitochondrial Apoptosis after Combined Treatment of Hepatocarcinoma Cells with Maleic Anhydride Derivatives and Quercetin

Figure 1

In silico analysis. (a) Geometric optimization of 35-dimaleamylbenzoic acid, C1, 35-dimaleimylbenzoic acid, C2, and quercetin, Q. (b) Global chemical and quantum reactivity descriptors: chemical potential, μ⁻ (eV); donor chemical potential, μ⁻ (eV); and acceptor potential, μ⁺ (eV); global hardness, η (eV); global softness (1/eV); electrophile index, ω(eV); electron-donating power, ω⁻ (eV); and electron-accepting power, ω⁺ (eV) under the same theory level B3LYP with the 6-31G basis. (c) IUPAC-based numerical assignment. (d) Local softness, s_x⁺, of olefinic carbons and carbonyl carbon of C1 and C2 versus local softness, s_x⁻, of the sulfur atom (S) of glutathione (GSH) assessed using Fukui condensed function.

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