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A new series of bioactive Mo(V)2O2S2-based thiosemicarbazone complexes: Solution and DFT studies, and antifungal and antioxidant activities
Molybdenum (Mo) is present as trace element everywhere in nature, both in soils and in living organisms. Present in >50...
A one-pot Pd- and P450-catalyzed chemoenzymatic synthesis of a library of oxyfunctionalized biaryl alkanoic acids leveraging a substrate anchoring approach
Marrying the advantages of chemical catalysts with the selectivity and evolvability of biocatalysts in chemoenzymatic reac...
Dioxygen and glucose force motion of the electron-transfer switch in the iron(III) flavohemoglobin-type nitric oxide dioxygenase
When coupled to reductases, globins can function as nitric oxide dioxygenases (NODs) (EC 1.14.12.17) that attenuate NO tox...
Evaluation of coumarin-tagged deferoxamine as a Zr(IV)-based PET/fluorescence dual imaging probe
The 89Zr nuclide presents advantageous physical properties (half-life: t1/2 = 78.41 h, positron intensity: I(β+) = 22.3%) ...
Structural modeling of cytochrome P450 51 from a deep-sea fish points to a novel structural feature in other CYP51s
Structural and functional analysis of cytochrome P450 (CYP or P450) genes and proteins in an environmental context has pro...
Guluronic acid can inhibit copper(II) and amyloid − β peptide coordination and reduce copper-related reactive oxygen species formation associated with Alzheimer's disease
Reactive oxygen species (ROS) formed from copper-related processes can induce oxidative damage to living cells, which is o...
The role of the distal cavity in carbon monoxide stabilization in the coproheme decarboxylase enzyme from C. diphtheriae
During infection, pathogens must synthesize heme or acquire it from the host to survive and thus spread the disease. Heme ...
Half-sandwich Ru(II) N-heterocyclic carbene complexes in anticancer drug design
Cancer is a pandemic with >18,000,000 diagnosed cases, [1] being considered the second cause of death worldwide [2]. Ch...
Investigating the applicability of the CYP102A1-decoy-molecule system to other members of the CYP102A subfamily
In the endeavour to develop green catalysts for the transformation of organomolecules, cytochrome P450 enzymes (CYPs) have...
Influence of the ligand-field on EPR parameters of cis- and trans-isomers in MoV systems relevant to molybdenum enzymes: Experimental and density functional theory study
The presence of pterin-containing molybdenum centers has been confirmed in more than 50 enzymes, and these enzymes are inv...
Antileishmanial effects and drugability characteristics of a heterocyclic copper complex: An in silico, in vitro and molecular study
Leishmaniasis is among the neglected global health problems. Cutaneous leishmaniasis (CL) is caused mainly by the protozoa...
The role of redox active copper(II) on antioxidant properties of the flavonoid baicalein: DNA protection under Cu(II)-Fenton reaction and Cu(II)-ascorbate system conditions
Polyphenols occur in plants, of which >8000 such compounds are known. They are classified into several groups, of which...
Solar-powered P450 catalysis: Engineering electron transfer pathways from photosynthesis to P450s
The cytochrome P450 monooxygenase (P450) enzyme superfamily contains over 300,000 P450 sequences spanning across all kingd...
Glycosaminoglycan-directed cobalt complexes
Glycosaminoglycans (GAGs) are negatively charged linear polysaccharides located on the cell surface and play an important ...
Interaction studies of oxindole-derivatives with β-amyloid peptides inhibiting its aggregation induced by metal ions
Amyloid peptide aggregation has been implicated in diverse neurodegenerative diseases, including Parkinson's, Alzheimer's,...
New bis[MoO2] and [MoO(O2)] compounds: An artificial enzyme with peroxidase activity against o-phenylenediamine and dopamine
Peroxidase, as a biocatalyst, exhibits high efficacy, specificity, and operate under mild reaction circumstances [1,2]. Th...
19F: A small probe for a giant protein
A systematic study of the effect of phosphine and bis-phosphine ligands in the interaction of NiII, PdII, and PtII complex...
Novel Zn(II)-complex with hybrid chalcone-thiosemicarbazone ligand: Synthesis, characterization, and inhibitory effect on HTLV-1-infected MT-2 leukemia cells
Estimates indicate >10 million individuals are living with human Adult T-cell lymphotropic virus type 1 (HTLV-1) worldw...
Evaluating the inhibitory activity of ferrocenyl Schiff bases derivatives on 5-lipoxygenase: Computational and biological studies
Chronic inflammatory processes can be considered an important health problem contributing to the development of multiple d...
Interactions of azole-based inhibitors with human heme oxygenase
Human heme oxygenase 1 (hHO-1) is an enzyme that is overexpressed in response to heat shock, oxidative stress, presence of...
Cytochrome P450-catalyzed oxidation of halogen-containing substrates
Cytochrome P450 (CYP) heme-thiolate monooxygenases catalyze the hydroxylation of the C-H bonds of organic molecules [1,2]....
Effect of lanthanides on oxidation of Mn2+ cations via a high-affinity Mn-binding site in photosystem II membranes
The catalytic center of the oxygen-evolving complex (OEC) in the oxygenic photosynthetic organisms carries out one of the ...
Lysosome directed red light photodynamic therapy using glycosylated iron-(III) conjugates of boron-dipyrromethene
The impetus in the medicinal chemistry of metal-based compounds in cancer chemotherapy started with the discovery of cytot...
Vanadium(IV) complexes of salicylaldehyde-based furoic acid hydrazones: Synthesis, BSA binding and in vivo antidiabetic potential
The increasing interest in medicinal chemistry and drug discovery vividly illustrates how far is modern society from fast,...
Synthesis, RNA-sequence and evaluation of anticancer efficacy of ruthenium(II) polypyridyl complexes toward HepG2 cells
Cancer has become one of the major diseases that endanger human health. Its incidence is getting higher and higher, and th...
Structures of biological heme-based sensors of oxygen
Dr. Ann Walker and one of us (M.-A. Gilles-Gonzalez) first met when, by chance, we both chose to eat lunch at the same tab...
A comparative study on the metal complexes of an anticancer estradiol-hydroxamate conjugate and salicylhydroxamic acid
Hydroxamic acids exert various biological effects, as there are examples for antibacterial [1,2] and anticancer [1,3] memb...
Selective carbon-hydrogen bond hydroxylation using an engineered cytochrome P450 peroxygenase
Cytochromes P450 (P450s) are a family of enzymes that carry out oxidative transformations. Most commonly they catalyze the...
Possible implementation of salicylate anions in lead detoxification
Lead is a neurotoxicant agent, which enters the body through digestion or inhalation and it is mainly accumulating in the ...
In vitro and in silico study of the biological activity of tetradentate Schiff base copper(II) complexes with ethylenediamine-bridge
The (patho)physiological action of copper in humans has been intensively studied, mainly because copper is an endogenous a...
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