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- W3201664147 endingPage "131582" @default.
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- W3201664147 abstract "Three derivatives of the scaffold, 1,3-bis(benzimidazol-2-yl)benzene 1–3, were synthesized and structurally characterized by single X-ray diffraction. Spectroscopic studies by fluorescence competitive displacement assays, UV–Vis, circular dichroism, and docking simulations revealed that the interaction of these derivatives with ds-DNA at pH= 7.4 is through groove binding mode with pronounced affinity to derivative 1 which contains hydrogen bond donor groups (NH), 1 (KA= 4.48 × 104 M−1), over the other derivatives lacking hydrogen bond donors, 2–3 (KA= 6.6 × 103 - 2.1 × 103 M−1). Melting DNA studies and Stern-Volmer constants at different temperatures of 1 with DNA are consistent with a static quenching mechanism by a groove binding mode. Based on experimentally estimated enthalpic (ΔH= -55.33 kJmol−1) and entropic (ΔS= -98.77 Jmol−1K−1) parameters, and theoretical calculations for the complex 1-DNA, the proposed interaction model is predominantly enthalpically driven through hydrogen bonds and Van der Waals. Finally, bisbenzimidazole derivatives 1 and 2 exhibit potential anti-proliferative activity toward human colorectal adenocarcinoma and human lung adenocarcinoma, respectively." @default.
- W3201664147 created "2021-10-11" @default.
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- W3201664147 date "2022-02-01" @default.
- W3201664147 modified "2023-10-17" @default.
- W3201664147 title "Crystal structures and study of interaction mode of bis-benzimidazole-benzene derivatives with DNA" @default.
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- W3201664147 doi "https://doi.org/10.1016/j.molstruc.2021.131582" @default.
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