Nayab Pattan Sirajuddin, Pulaganti Madhusudana, Chitta Suresh Kumar
Department of Chemistry, Jamia Millia Islamia, New Delhi, 110 025, India.
Department of Biochemistry, Sri Krishnadevraya University, Ananthapuram, 515 003, India.
J Fluoresc. 2015 Nov;25(6):1763-73. doi: 10.1007/s10895-015-1664-4. Epub 2015 Sep 26.
A new chemo sensor 2-(4-methylbenzylideneamino)-isoindoline-1,3-dione (PDB) was synthesized and characterized by UV-Vis., IR, (1)H NMR, (13)C NMR spectral and elemental analysis. Its photophysical properties in organic solvents with different polarity were studied. The sensitivity of the PDB in different pH solutions was investigated and the results indicated that PDB would be able to act as an efficient "off-on-off" switch for pH. This chemosensor displayed high selectivity towards Cu(2+) in the presence of metal ions Ba(2+), Cd(2+), Co(2+), Hg(2+), Ni(2+), Pb(2+), K(+) and Zn(2+) in DMF/H2O solution. Furthermore DNA binding and molecular docking studies were also carried out to investigate the biological potential of the test compound. The interaction of compound (PDB) with Ct-DNA was examined by absorption, CD spectroscopy, cyclic voltammetry and viscosity measurements. In silico studies revealed that the test compound (PDB) showed good affinity towards the target receptor d (CGCGAATTCGCG)2 with the binding energy of -7.70 kcal/mol.
合成了一种新型化学传感器2-(4-甲基亚苄基氨基)-异吲哚啉-1,3-二酮(PDB)，并通过紫外可见光谱、红外光谱、(1)H核磁共振谱、(13)C核磁共振谱和元素分析对其进行了表征。研究了其在不同极性有机溶剂中的光物理性质。考察了PDB在不同pH溶液中的灵敏度，结果表明PDB能够作为一种有效的pH“开-关-开”开关。在DMF/H2O溶液中，该化学传感器在金属离子Ba(2+)、Cd(2+)、Co(2+)、Hg(2+)、Ni(2+)、Pb(2+)、K(+)和Zn(2+)存在下对Cu(2+)表现出高选择性。此外，还进行了DNA结合和分子对接研究，以考察受试化合物的生物学潜力。通过吸收光谱、圆二色光谱、循环伏安法和粘度测量研究了化合物(PDB)与Ct-DNA的相互作用。计算机模拟研究表明，受试化合物(PDB)对靶受体d (CGCGAATTCGCG)2具有良好的亲和力，结合能为-7.70千卡/摩尔。
