J. Appl. Cryst.の発刊に際して

Medicinal chemistry of indole derivatives: Current to future therapeutic prospectives.

The evolution of resistance to traditional platinum-based anticancer drugs has compelled researchers to investigate the cytostatic properties of alternative transition metal-based compounds. The anticancer potential of cobalt complexes has been extensively studied over the last three decades, and much time has been devoted to understanding their mechanisms of action. This perspective catalogues the development of antiproliferative cobalt complexes, and provides an in depth analysis of their mode of action. Early studies on simple cobalt coordination complexes, Schiff base complexes, and cobalt–carbonyl clusters will be documented. The physiologically relevant redox properties of cobalt will be highlighted and the role this plays in the preparation of hypoxia selective prodrugs and imaging agents will be discussed. The use of cobalt-containing cobalamin as a cancer specific delivery agent for cytotoxins will also be described. The work summarised in this perspective shows that the biochemical and biophysical properties of cobalt-containing compounds can be fine-tuned to produce new generations of anticancer agents with clinically relevant efficacies.

Advances in cobalt complexes as anticancer agents

Schiff bases containing benzothiazole unit are synthesized and characterized by 1H NMR, 13C NMR, LC–MS, UV–visible and fluorescence spectroscopy methods. Synthesized compounds were evaluated for in...

Schiff base clubbed benzothiazole: synthesis, potent antimicrobial and MCF-7 anticancer activity, DNA cleavage and computational study

In this review we compare and discuss results of compounds already reported as anticancer agents based on isatin-derivatives, metalated as well as non-metallated Isatin compounds can be obtained from plants, marine animals, and is also found in human fluids as a metabolite of amino acids Its derivatives include imines, hydrazones, thiosemicarbazones, among others, already focused on numerous anticancer studies Some of them have entered in pre-clinical and clinical tests as antiangiogenic compounds or inhibitors of crucial proteins As free ligands or coordinated to metal ions, such isatin derivatives showed promising antiproliferative properties against different cancer cells, targeting different biomolecules or organelles Binding to metal ions usually improves its biological properties, indicating a modulation by the metal and by the ligand in a synergistic process They also reveal diverse mechanisms of action, being able of binding DNA, generating reactive species that cause oxidative damage, and inhibiting selected proteins Strategies used to improve the efficiency and selectivity of these compounds comprise structural modification of the ligands, metalation with different ions, syntheses of mononuclear and dinuclear species, and use of inserted or anchored compounds in selected drug delivery systems

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Anticancer Compounds Based on Isatin-Derivatives: Strategies to Ameliorate Selectivity and Efficiency.

Structural and molecular docking studies of biologically active mercaptopyrimidine Schiff bases

To prepare the anticancer indoles, a series of substituted heteroannulated indole derivatives has been synthesized and characterized by spectral and elemental analysis. Subsequently they were evaluated for anticancer activity against cervical cancer (HeLa) cell line using MTT assay. Compounds 5c and 5d exhibit excellent activity with the IC50 value of 13.41 and 14.67 µM, respectively which is nearer to the standard cisplatin (IC50-13.20 µM). All the compounds were further screened for their antibacterial activity against five gram negative and two gram positive bacterial strains to assess their selectivity. In order to get more insight into the binding mode and inhibitor binding affinity, compounds (4a–5d) were docked with Human protein kinase CK2. Results suggested that the hydrophobic interactions in the binding pockets of human protein kinase CK2 exploited affinity of the most favorable binding ligands (4c and 5c: glide score = −7.011 and −6.974: E-model score = −50.6 and −50.865, respectively). The structure–activity relationship (SAR) studies demonstrated that the most potent compounds (5c, 5d) can be developed into precise the capability to treat cervical cancer.

Novel indole derivatives as potential anticancer agents: Design, synthesis and biological screening

A Co(III) Schiff base complex with the formula [Co(L)2]Cl · H2O (I) (L = monoanionic tridentate Schiff base ligand derived from salicylaldehyde and ethylene diamine) has been synthesized and characterized by elemental analysis and spectroscopic techniques. The structure of I was confirmed by single crystal X-ray diffraction studies (CIF file CCDC no. 1009967), which showed the presence of two Schiff base molecules in an octahedral fashion. The complex has been screened for its in vitro antibacterial and anticancer activities. Complex I was found to be more active in anti-microbial and anti-cancer activity than the ligand.

Synthesis, structure, and pharmacological evaluation of Co(III) complex containing tridentate Schiff base ligand

In the title compound, C7H7NO·C6H3N3O7, one of the nitro groups of the picric acid mol­ecule lies in the plane of the attached benzene ring [dihedral angle = 1.4 (1)°] while the other two are twisted away by 9.9 (1) and 30.3 (1)°. In the benzamide mol­ecule, the amide group is almost coplanar with the benzene ring [dihedral angle = 4.4 (1)°]. An intra­molecular O—H⋯O hydrogen bond generates an S6 ring motif. In the crystal, mol­ecules are linked into a ribbon-like structure along the b axis by O—H⋯O and N—H⋯O inter­molecular hydrogen bonds. In addition, C—H⋯O hydrogen bonds and short O⋯O contacts [2.828 (2) A] are observed.

https://journals.iucr.org/e/issues/2010/07/00/ci5096/ci5096.pdf

Benzamide-picric acid (1/1).

In the title compound, C5H7N2+·C6H2N3O7−, there are two crystallographically independent cations and anions (A and B) in the asymmetric unit. In both picrate anions, one of the nitro groups lies in the plane of the benzene ring [r.m.s. deviations = 0.014 (2) and 0.014 (2) A for anions A and B, respectively] and the other two are twisted away by 39.0 (2) and 18.8 (2)° in A, and 18.2 (1) and 2.5 (2)° in B. In the crystal, the cations and anions are linked by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds, forming a two-dimensional network.

https://journals.iucr.org/e/issues/2010/07/00/sj5016/sj5016.pdf

R. Velmurugan

Papers

Structural and molecular docking studies of biologically active mercaptopyrimidine Schiff bases

Novel indole derivatives as potential anticancer agents: Design, synthesis and biological screening

Synthesis, structure, and pharmacological evaluation of Co(III) complex containing tridentate Schiff base ligand

Benzamide-picric acid (1/1).

2-Amino-pyridinium picrate.