ABSTRACT
Osmium (IV) complexes with pyrazole nucleus containing ligands were synthesized. Os(IV) compounds were characterized using ESI-MS, ICP-OES, IR spectroscopy, electronic spectroscopy, conductance, and magnetic measurements. Whereas, ligands were characterized by heteronuclear spectroscopy, (1H and 13C), IR spectroscopy, and elemental analysis. All the compounds were tested for their potential to interact with HS-DNA by absorption titration, fluorescence spectroscopy, viscosity measurement, and docking study. The quenching constant and Stern Volmer constant values were calculated using fluorescence study. The synthesized compounds were studied for in-vitro bacteriostatic and cytotoxic activities. The cancer cell line studies of all the synthesized complexes were carried out on human lung cancer cells (A549).Supplemental data for this article is available online at https://doi.org/10.1080/15257770.2021.1921795 .
Subject(s)
Coordination Complexes , Osmium , Cell Line, Tumor , DNA/chemistry , Humans , Ligands , Molecular Docking Simulation , PyrazolesABSTRACT
Osmium(IV) pyrazole compounds and ligands were synthesized and well characterised. Ligands were characterized by heteronuclear NMR spectroscopy (1H & 13C), elemental analysis, IR spectroscopy and liquid crystal mass spectroscopy. Os(IV) complexes were characterized by ESI-MS, ICP-OES, IR spectroscopy, conductance measurements, magnetic measurements and electronic spectroscopy. Binding of compounds with HS-DNA were evaluated using viscosity measurements, absorption titration, fluorescence quenching, and molecular docking, which show effective intercalation mode exhibited by compounds. Binding constant of Os(IV) complexes are found to be 8.1 to 9.2 × 104 M-1. Bacteriostatic and cytotoxic activities were carried out to evaluate MIC, LC50, and IC50. The compounds have been undergone bacteriostatic screening using three sets of Gram+ve and two sets of Gram-ve bacteria. MIC of complexes are found to be 72.5-100 µM, whereas that of ligands fall at about 122.5-150 µM.. LC50 count of ligands fall in the range of 16.22-17.28 µg/mL whereas that of complexes of Os(IV) fall in the range of 4.87-5.87 µg/mL. IC50 of osmium compounds were evaluated using HCT-116 cell line. All the Os(IV) compounds show moderate IC50.
Subject(s)
Antineoplastic Agents/pharmacology , Coordination Complexes/pharmacology , DNA/chemistry , Fluorescence , Osmium/pharmacology , Pyrazoles/pharmacology , Antineoplastic Agents/chemical synthesis , Antineoplastic Agents/chemistry , Cell Proliferation/drug effects , Cell Survival/drug effects , Coordination Complexes/chemical synthesis , Coordination Complexes/chemistry , Drug Screening Assays, Antitumor , HCT116 Cells , Humans , Ligands , Molecular Docking Simulation , Osmium/chemistry , Pyrazoles/chemistryABSTRACT
Biological applications of platinum group metal-based complexes have been widely explored in synthetic and inorganic chemistry. The compounds have been subjected to DNA binding, DNA cleavage, In-vivo and In-vitro photocytotoxicity (HCT-116 cell line) and bacteriostatic activities. Binding constant of complexes are 1.42-5.62 × 104 M-1, whereas that of ligands are 1.12-4.72 × 104 M-1. Ksv of complexes are about 1.32-5.21 × 103 M-1, whereas Kf is about 1.24-6.83 × 103 M-1. IC50 of compounds screened using HCT-116 cell line in dark are found to be 121-342 µg/mL. Whereas photocytotoxicity is found in the range of 48-316 µg/mL. Docking energy of molecules have been evaluated to evaluate efficacy of binding. Molecular docking energy of complexes are in the range of -286.00 to -303.11 kJ/mol. Whereas that of ligands are -254.03 to -282.96 kJ/mol. MIC of complexes are 47 ± 2.5 to 77.50 ± 7.5 µM. LC50 values of ligands fall in the range of 4.05-19.72 µg/mL and that of Os(IV) complexes fall in the range of 3.99-15.99 µg/mL. The Os(IV) complexes dominate in proving its potentiality compared to N, N-donor ligands in biological activities. [Formula: see text]Communicated by Ramaswamy H. Sarma.
Subject(s)
Antineoplastic Agents , Coordination Complexes , Quinolines , Coordination Complexes/pharmacology , DNA , DNA Cleavage , Ligands , Molecular Docking SimulationABSTRACT
Square planar mononuclear platinum(II) complexes having general formula [Pt(Ln)Cl2], (where, Ln = L1-4) were synthesized with neutral bidentate heterocyclic 1,3,5-trisubstituted bipyrazole based ligands. The synthesized compounds were characterized by physicochemical method such as TGA, molar conductance, micro-elemental analysis and magnetic moment, and spectroscopic method such as, FT-IR, UV-vis, 1H NMR, 13C NMR and mass spectrometry. Biological applications of the compounds were carried out using in vitro brine shrimp lethality bioassay, in vitro antimicrobial study against five different pathogens, and cellular level cytotoxicity against Schizosaccharomyces pombe (S. Pombe) cells. Pt(II) complexes were tested for DNA interaction activities using electronic absorption titration, viscosity measurements study, fluorescence quenching technique and molecular docking assay. Binding constants (Kb) of ligands and complexes were observed in the range of 0.23-1.07 × 105 M-1 and 0.51-3.13 × 105 M-1, respectively. Pt(II) complexes (I-IV) display an excellent binding tendency to biomolecule (DNA) and possess comparatively high binding constant (Kb) values than the ligands. The DNA binding study indicate partial intercalative mode of binding in complex-DNA. The gel electrophoresis activity was carried out to examine DNA nuclease property of pUC19 plasmid DNA.
