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Synthesis, topoisomerase I inhibitory and cytotoxic activities of chromone derivatives.

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A series of chromone derivatives were designed as potential topoisomerase I (Top I) inhibitors based on the docking simulation study. Sixteen synthesized compounds were evaluated for Top I inhibitory activity and some compounds were further tested for in vitro cytotoxic activity. The most potent

Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.

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Monoamine oxidase B (MAO-B) is a validated drug target for Parkinson's disease. Chromone derivatives were identified as novel potent and reversible MAO-B inhibitors, and herewith we report on a crystallographic and biochemical analysis to investigate their inhibition mechanism. The crystal

In-silico analysis of chromone containing sulfonamide derivatives as human carbonic anhydrase inhibitors.

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Computational tools of analysis were used on a set of synthetic chromone containing sulfonamide derivatives for evaluation of their enzyme inhibitory activity against Carbonic Anhydrase (CA) isozymes. GOLD docking software was utilized to dock the compounds against two human Carbonic Anhydrase (hCA)

Systematic approach of chromone skeleton for detecting Mg2+, ion: Applications for sustainable cytotoxicity and cell imaging possibilities.

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The systematic studies of chromone appended novel chemosensors, favored to Mg²⁺ ion detection, these were analyzed and characterized by different spectroscopic techniques such as NMR, mass spectroscopy, FTIR and optical techniques. The binding demeanor of the ligands was executed with the

Inhibition of monoamine oxidase by selected C6-substituted chromone derivatives.

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Chromone has been reported to be a useful scaffold for the design of monoamine oxidase (MAO) inhibitors. In an attempt to discover highly potent MAO inhibitors and to contribute to the known structure-activity relationships (SAR) of MAO inhibition by chromones, in the present study, we have

Molecular control of a bimodal distribution of quinone-analogue inhibitor binding sites in the cytochrome b(6)f complex.

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The 3.0-3.1A X-ray structures of the cytochrome b(6)f complex from Mastigocladus laminosus and Chlamydomonas reinhardtii obtained in the presence of the p-side quinone-analogue inhibitor tridecyl-stigmatellin (TDS) are very similar. A difference occurs in the p-side binding position of TDS. In

Structure of the cytochrome b6f complex: quinone analogue inhibitors as ligands of heme cn.

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A native structure of the cytochrome b(6)f complex with improved resolution was obtained from crystals of the complex grown in the presence of divalent cadmium. Two Cd(2+) binding sites with different occupancy were determined: (i) a higher affinity site, Cd1, which bridges His143 of cytochrome f

Structure-based engineering of a plant type III polyketide synthase: formation of an unnatural nonaketide naphthopyrone.

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Pentaketide chromone synthase (PCS) from Aloe arborescens is a novel plant-specific type III polyketide synthase (PKS) that produces 5,7-dihydroxy-2-methylchromone from five molecules of malonyl-CoA. On the basis of the crystal structures of wild-type and M207G mutant PCS, the F80A/Y82A/M207G triple

Mercury ions complexation with a series of heterocyclic derivatives of 3-hydroxychromone: spectral effects and prospects for ultrasensitive Hg2+ probing.

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Complexation of three 3-hydroxychromone derivatives bearing a nitrogen-containing heterocyclic moiety in the position 2 of the chromone bicycle - benzimidazole, quinoline, and 2,5-diphenyloxazole, with mercury(II) ions is reported. Formation of chelate complexes with the metal cations coordinated

Engineered biosynthesis of plant polyketides: structure-based and precursor-directed approach.

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Pentaketide chromone synthase (PCS) and octaketide synthase (OKS) are novel plant-specific type III polyketide synthases (PKSs) obtained from Aloe arborescens. Recombinant PCS expressed in Escherichia coli catalyzes iterative condensations of five molecules of malonyl-CoA to produce a pentaketide

Effect of beta-cyclodextrin nanocavity confinement on the photophysics of robinetin.

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We have studied the confinement of robinetin, a therapeutically active plant flavonol, in cyclodextrin (CDx) nanocavities, using steady state and time resolved fluorescence spectroscopy. Enhanced tautomer emission (arising from excited state intramolecular proton transfer (ESIPT)) as well as

Contrasting binding of fisetin and daidzein in γ-cyclodextrin nanocavity.

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Steady state and time resolved fluorescence along with anisotropy and induced circular dichroism (ICD) spectroscopy provide useful tools to observe and understand the behavior of the therapeutically important plant flavonoids fisetin and daidzein in γ-cyclodextrin (γ-CDx) nanocavity.

Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes.

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In the present study, our aim is to investigate the preferential binding mode and encapsulation of the flavonoid fisetin in the nano-pore of β-cyclodextrin (β-CD) at the molecular level using various theoretical approaches: molecular docking, molecular dynamics (MD) simulations and binding free

Study on the complexation of isoquercitrin with beta-cyclodextrin and its derivatives by spectroscopy.

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The inclusion complexes of isoquercitrin (IQ) with cyclodextrins (CDs) including beta-cyclodextrin (beta-CD), hydroxypropyl-beta-cyclodextrin (HP-beta-CD) and dimethyl-beta-cyclodextrin (DM-beta-CD) have been investigated using the methods of steady-state fluorescence, UV-vis absorption and induced

Rapid synthesis of flavone-based monoamine oxidase (MAO) inhibitors targeting two active sites using click chemistry.

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A new library of flavone derivatives targeting two active sites of monoamine oxidases ("aromatic cage" and substrate cavity) were designed and synthesized using click chemistry (CuAAC reaction) between 6-N3 -2-phenyl chromones (Az1-Az2) and a series of alkynes (k1-k20). Their inhibitory activities

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