| The functional transition metal complexes had been extensively investigated in recent years due to their novel structures,wide biological significance and potential applications not only from an academic angle of vision but also in many applications fields.In this research,Isoniazid derivatives were prepared as ligands and then synthesized transition metal complexes,urease inhibitory activities and antimicrobial activities were evaluated.Firstly,three novel single crystals of nickel(?)complexes were synthesized with 3-pyridinyl-4-amino-5-mercapto-1,2,4-triazole ligand and structurally characterized by single crystal X-ray diffraction method.Complexes 1,2,3 were mononuclear nickel complex.Complex 1 crystallized in the monoclinic space group C2/c with unit cell dimensions a = 14.272(2)?,b = 10.4861(15)?,c = 18.261(3)?,? = 90 °,? = 97.270(4)°,? = 90°,V = 2710.9(7)?3;Complex 2 crystallized in the monoclinic space group P? with unit cell dimensions a = 7.8651(5)?,b = 8.2339(5)?,c = 10.5624(7)?,? = 103.339(2)°,? = 101.410(2)°,? = 106.141(2)°,V = 613.71(7)?3;Complex 3 crystallized in the monoclinic space group P21/c with unit cell dimensions a = 9.159(3)?,b = 10.766(3)?,c = 14.556(5)?,? = 90 °,? = 90.354(10)°,? = 90°,V = 1435.3(8)?3?Molecular docking investigated by Auto Dock program showed commendable binding mode between complexes 1,2,3 and jack bean urease active site.The inhibitory activity was tested in vitro against jack bean urease and exhibited that 1,2,3 had good inhibitory activity.Kinetics studies were investigated and complex 3 exhibited non-competitive inhibitory mechanism.Secondly,four novel complexes were synthesized with 2-((4-amino-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-yl)thio)acetic acid ligand and characterized by single-crystal X-ray diffraction analysis.The complex 4 exhibited a mononuclear structure,Complexes 5,6 and 7 featured two-dimensional(2D)networks.Complex 4 crystallized in the Triclinic space group P? with unit cell dimensions a = 7.1824(4)?,b = 7.5251(5)?,c = 12.8134(7)?,? = 78.885(2)°,? = 81.237(2)°,? = 62.587(2)°,V = 601.64(6)?3;Complex 5 crystallized in the monoclinic space group P21/c with unit cell dimensions a = 10.8487(4)?,b = 14.6144(6)?,c = 7.5686(3)?,? = 90 °,? = 90.100 °,? = 90°,V = 1199.98(8)?3;Complex 6 crystallized in the monoclinic space group P21/c with unit cell dimensions a = 10.9382(9)?,b = 14.7321(14)?,c = 7.5831(6)?,? = 90 °,? = 90.907(2)°,? = 90°,V = 1221.81(18)?3;Complex 7 crystallized in the monoclinic space group P21/c with unit cell dimensions a = 10.9507(9)?,b = 14.7568(11)?,c = 7.5408(6)?,? = 90 °,? = 91.693(3)°,? = 90°,V = 1218.04(17)?3.Molecular docking was investigated and showed commendable binding mode between complex 4 and urease active site to determine the probable binding mode.The inhibitory activity was tested in vitro against jack bean urease.Among the four complexes,two Cu(?)complexes 4 and 5 exhibited good inhibitory activity,while the Zn(?)and Fe(?)complexes showed no activity.To explore the mechanism for inhibiting of the enzyme,kinetics studies were carried out,the activated 4 and 5 both were a mixed-competitive inhibitory mechanism.Thirdly,five novel single crystals of Co(?),Ni(?),Cu(?),Zn(?),Ag(I)complexes were synthesized with N'-(pyridin-2-ylmethylene)isonicotinohydrazide ligand and characterized by single-crystal X-ray diffraction analysis.Complex 8 crystallized in the monoclinic space group P21/c with unit cell dimensions a = 12.0365(10)?,b = 5.7610(12)?,c = 18.1888(14)?,? = 90 °,? = 100.473(2)°,? = 90°,V = 3393.1(5)?3;Complex 9 crystallized in the monoclinic space group P21/c with unit cell dimensions a = 12.6426(11)?,b = 17.8756(14)?,c = 13.9955(11)?,? = 90 °,? = 114.165(2)°,? = 90°,V = 2885.7(4)?3;Complex 10 crystallized in the triclinic space group P? with unit cell dimensions a = 10.1590(7)?,b = 11.9003(8)?,c = 14.3406(10)?,? = 71.947(2)°,? = 80.504(2)°,? = 69.173(2)°,V = 1537.72(18)?3;Complex 11 crystallized in the monoclinic space group P21/c with unit cell dimensions a = 8.7553(19)?,b = 12.550(3)?,c = 13.646(3)?,? = 90 °,? = 105.739(5)°,? = 90°,V = 1443.2(6)?3;Complex 12 crystallized in the monoclinic space group P21/c with unit cell dimensions a = 17.4099(13)?,b = 9.0358(6)?,c = 20.7037(11)?,? = 90 °,? = 124.946(4)°,? = 90°,V = 2669.7(3)?3.The inhibitory activity was evaluated against antimicrobial activities and the results indicated that complexes 10(Cu)and 12(Ag)had good inhibitory antimicrobial activities. |
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