Synthesis, characterization, antimicrobial, cytotoxic, DNA-interaction, molecular docking and DFT studies of novel di- and tri-organotin(IV) carboxylates using 3-(3-nitrophenyl)2-methylpropenoic acid

Centro‐symmetric copper complex as a novel antitumor drug for therapeutic applications: Fabrication, structure, theoretical calculations, cytotoxicity, DNA binding/cleavage, and molecular docking

“…It also means more effective binding affinity between receptors and Cu(AHC) 2 drug. [68,[77][78][79] The binding energy result has been confirmed with the previously calculated binding constant (K b = 0.19 Â 10 6 M À1 ), which reflects the strongest binding affinity of the Cu(AHC) 2 complex (see Section 3.2.2). It is observed from Figure 10 that one planar section of Cu(AHC) 2 complex (the phenyl and pyran ring) has been inserted between the ring system of the DNA bases to form (Pi-interaction) with DA12 nucleotides, whereas another part with carbonyl side chain has remained at the minor groove forming a hydrogen bond with DA18, DA17, and DG10 nucleotides.…”

Structural characterization, DNA binding study, antioxidant potential and antitumor activity of diorganotin(IV) complexes against human breast cancer cell line MDA-MB-231

“…On the other hand, in the case of a non-classic intercalation binding model, the compound binds in the DNA grooves, causing bending of the DNA helix and decreasing its length. In contrast, the viscosity of DNA solution remains unchanged/reduced [55,56].…”

Synthesis, characterization, X‐ray structure, DNA binding, antioxidant and docking study of new organotin(IV) complexes

“…The electronic spectra were measured on a (AE-S90) AELAB spectrophotometer. Four milligrams of SS-DNA (salmon sperm, double stranded) was dissolved in 40 mL of double distilled water to produce SS-DNA solution and was stirred overnight before storing it at 4 C. The purity and DNA concentration of the above solution was determined using the previously described method 21,22 and was found to be 2 Â 10 À4 M. The drug was titrated against SS-DNA solution by adding different concentrations of DNA solution (5-25 M) to a constant concentration (0.1 mM) of synthesized ligand (H 2 L) and diorganotin(IV) complex (1-4) solution. The solutions S C H E M E 3 Numbering scheme of ligand (H 2 L) and organotin(IV) complexes (1)(2)(3)(4).…”