Three new phenanthroline-derived ligands were synthesized by the Schiff base condensation method. The first ligand was the result of 1,10-phenanthroline-2-carboxyaldehyde reaction with 1,4-diaminobutane (L1). The other ligands were obtained 1,6-diaminohexane (L2) and 1,8-diaminooctane (L3) with the phenanthroline aldehyde in separate reactions. The structures of all ligands were elucidated using spectral techniques such as FT-IR, ¹³C NMR, ¹H NMR and LC ESI/MS. The geometric properties of ligands such as bond lengths, bond angles, dihedral angles, electronic properties, HOMO and LUMO energies were calculated by using the Gaussian 09w programme. Ligands were optimized with B3LYP and 6–311++G(2d,p) basis set and NMR and FT-IR spectra were calculated. Experimental and theoretical spectrum data were compared. All of the ligands showed antibacterial activity against Staphylococcus aureus ATCC 25923 and Bacillus cereus ATCC 11778. The anticancer activities of the ligands were also determined against human breast cancer (MCF7) and prostate cancer (DU145) cell lines. In addition, which conformation of the ligands was determined by the theoretical calculations. Docking studies of ligands with bovine serum albumin (BSA) were performed using Autock Tools 1.5.6 programme.

通过席夫碱缩合法合成了三种新的菲咯啉衍生配体。第一个配体是 1,10-菲咯啉-2-羧醛与 1,4-二氨基丁烷 (L1) 反应的结果。其他配体是在单独的反应中与菲咯啉醛一起获得 1,6-二氨基己烷 (L2) 和 1,8-二氨基辛烷 (L3)。使用光谱技术如 FT-IR、¹³ C NMR、^{1阐明了所有配体的结构}H NMR 和 LC ESI/MS。使用 Gaussian 09w 程序计算配体的几何性质，如键长、键角、二面角、电子性质、HOMO 和 LUMO 能量。用 B3LYP 和 6–311++G(2d,p) 基组优化配体，并计算 NMR 和 FT-IR 光谱。比较了实验和理论光谱数据。所有配体均显示出对金黄色葡萄球菌ATCC 25923 和蜡状芽孢杆菌的抗菌活性ATCC 11778。还测定了配体对人乳腺癌 (MCF7) 和前列腺癌 (DU145) 细胞系的抗癌活性。此外，配体的构象由理论计算确定。使用 Autock Tools 1.5.6 程序进行配体与牛血清白蛋白 (BSA) 的对接研究。