antibacterial, DPPH radical scavenging activities, and studies of isolated compounds from leaves extract.

Poir. is a medicinal plant used in Ethiopia to treat different diseases. This study aimed to isolate phytochemicals from the leave and evaluate their antibacterial and DPPH scavenging activities using and studies.

Antibacterial and DPPH Radical Inhibitory Activities and Molecular Simulation of Compounds Isolated from the Leaves of .

is one of the medicinal plants traditionally used in Ethiopia to treat various ailments, including wounds, snake bites, tuberculosis, and cancer. However, there is a lack of comprehensive investigation regarding the biological activities of the phytoconstituents extracted from its leaves. This study aims to isolate compounds and evaluate their antibacterial properties and DPPH radical scavenging activities, complemented by molecular modeling.

Synthesis, characterization, and application of ternary CuO/ZrO@S-doped g-CN hybrid nanocomposites.

Graphitic carbon nitride (g-CN) is utilized across various fields, including catalysis, hydrogen production, and biosensing, due to its basic surface sites. However, g-CN often shows limited efficiency in such applications, mainly due to challenges related to absorption and low conductivity. This study aimed to synthesize S-doped g-CN/CuO/ZrO-based semiconducting ternary nanocomposites (NCs) for catalytic applications using a chemical precipitation method.

Synthesis, Structural Characterization, and Computational Studies of Novel Co(II) and Zn(II) Fluoroquinoline Complexes for Antibacterial and Antioxidant Activities.

Research into heterocyclic ligands has increased in popularity due to their versatile applications in the biomedical field. Quinoline derivatives with their transition metal complexes are popular scaffolding molecules in the ongoing pursuit of newer and more effective bioactive molecules. Subsequently, this work reports on the synthesis and possible biological application of new Zn(II) and Co(II) complexes with a bidentate quinoline derivative ligand (H ), [(H ):()-2-(((6-fluoro-2-((2-hydroxyethyl)amino)quinolin-3-yl)methylene)amino)ethanol].

Antibacterial and Cytotoxicity of Extracts and Isolated Compounds from : A Combined Experimental and Computational Study.

is a widely cultivated hedge plant in Ethiopia. Traditionally, they have been used to treat a variety of health conditions, including intestinal problems, infectious diseases, tonsillitis, and leishmaniasis. Silica gel chromatographic separation of the methanol and ethyl acetate extracts of the leaves, roots, and stem barks of led to the isolation of 12 compounds, labeled as 1-12.

Cytotoxic Cu(II) Complexes with a Novel Quinoline Derivative Ligand: Synthesis, Molecular Docking, and Biological Activity Analysis.

The utilization of metallodrugs as a viable alternative to organic molecules has gained significant attention in modern medicine. We hereby report synthesis of new imine quinoline ligand ()-based Cu(II) complexes and evaluation of their potential biological applications. Syntheses of the ligand and complexes were achieved by condensation of 7-chloro-2-hydroxyquinoline-3-carbaldehyde and 2,2'-thiodianiline, followed by complexation with Cu(II) metal ions.

In Silico Molecular Docking Analysis, Cytotoxicity, and Antibacterial Activities of Constituents of Fruits of .

(Cucurbitaceae) is a plant traditionally used against diarrhea, teeth-ach, wounds, stomach ache, meningitis, and cancer. The extracts of after silica gel column chromatography gave nine compounds identified using spectroscopic methods such as hexacosane (), octadecane (), 17-(-5-ethyl-2,6-dihydroxy-6-methylhept-3-en-2-yl)-9-(hydroxymethyl)-13-methylcyclopenta[α]phenanthren-3-ol (), erythrodiol (), (9,12)-propyl icosa-9,12-dienoate (), α-spinasterol (), 16-dehydroxycucurbitacin (), cucurbitacin D (), and 23,24-dihydroisocucurbitacin D (). Compounds and are new to the genus .

Biosynthesis of Leaf Extract-Mediated Bimetallic ZnO-CuO Nanoparticles: Antioxidant, Anticancer, and Molecular Docking Studies.

Currently, plant extract-mediated synthesized metal oxide nanoparticles (MO NPs) have played a substantial role in biological applications. Hence, this study focused on the eco-benign one-pot synthesis of bimetallic ZnO-CuO nanoparticles (ZC NPs) using the leaf extract of (LEAA) and evaluations of their anticancer, antioxidant, and molecular binding efficacy. The optical absorption peak at 380 nm from UV-visible (UV-vis) analysis revealed the formation of ZC NPs.

Biosynthesis of Silver Nanoparticles Functionalized with Histidine and Phenylalanine Amino Acids for Potential Antioxidant and Antibacterial Activities.

Due to biochemically active secondary metabolites that assist in the reduction, stabilization, and capping of nanoparticles, plant-mediated nanoparticle synthesis is becoming more and more popular. This is because it allows for ecologically friendly, feasible, sustainable, and cost-effective green synthesis techniques. This study describes the biosynthesis of silver nanoparticles (AgNPs) functionalized with histidine and phenylalanine using the (locally called koseret) plant leaf extract.

Organic-inorganic hybrid salt and mixed ligand Cr(III) complexes containing the natural flavonoid chrysin: Synthesis, characterization, computational, and biological studies.

Organic-inorganic hybrid salt and mixed ligand Cr(III) complexes ( and ) containing the natural flavonoid chrysin were synthesized. The metal complexes were characterized using UV-Vis, Fourier-transform infrared, MS, SEM-EDX, XRD, and molar conductance measurements. Based on experimental and DFT/TD-DFT calculations, octahedral geometries for the synthesized complexes were suggested.

Nanocomposites with ZrO@S-Doped g-CN as an Enhanced Binder-Free Sensor: Synthesis and Characterization.

This study describes new electrocatalyst materials that can detect and reduce environmental pollutants. The synthesis and characterization of semiconductor nanocomposites (NCs) made from active ZrO@S-doped g-CN is presented. Electrochemical impedance spectroscopy (EIS) and Mott-Schottky (M-S) measurements were used to examine electron transfer characteristics of the synthesized samples.

Cytotoxicity and Antibacterial Potentials of Mixed Ligand Cu(II) and Zn(II) Complexes: A Combined Experimental and Computational Study.

[Cu(CHO)(CHN)OCH]·3HO () and [Zn(CHO)(CHN)]OCH () have been synthesized and characterized by ultraviolet-visible (UV-vis) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, mass spectrometry, thermogravimetric analysis/differential thermal analysis (TGA/DTA), X-ray diffraction (XRD), scanning electron microscopy-energy-dispersive X-ray spectroscopy (SEM-EDX), and molar conductance, and supported by density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. Square pyramidal and tetrahedral geometries are proposed for Cu(II) and Zn(II) complexes, respectively, and the XRD patterns showed the polycrystalline nature of the complexes. Furthermore, cytotoxic activity of the complexes was evaluated against the human breast cancer cell line (MCF-7).

Synthesis, characterization, and biological activities of zinc(II), copper(II) and nickel(II) complexes of an aminoquinoline derivative.

Interest is increasingly focused on the use of transition metal complexes as biochemical, medical, analytical, pharmaceutical, agronomic, anticancer, and antibacterial agents. In this study, three complexes of [Zn(HL)Cl] (), [Cu(HL)(HO)(NO)] () and [Ni(HL)(NO)].2HO () were synthesized from a 2-chloroquinoline-3-carbaldehyde derived ligand [HL = (()-2-(((2-((2-hydroxyethyl)amino)quinolin-3-yl)methylene)amino)ethanol.

Antibacterial and Antioxidant Activities, in silico Molecular Docking, ADMET and DFT Analysis of Compounds from Roots of .

Background: is a medicinal plant traditionally used to treat various ailments. Limited studies on inspired us to investigate the chemical nature and therapeutic potential of the plant.

Methods: Silica gel column chromatographic separation was used for isolation.

Synthesis and characterization of CuO@S-doped g-CN based nanocomposites for binder-free sensor applications.

This study presents the simultaneous exfoliation and modification of heterostructured copper oxide incorporated sulfur doped graphitic carbon nitride (CuO@S-doped g-CN) nanocomposites (NCs) synthesized chemical precipitation and pyrolysis techniques. The results revealed that the approach is feasible and highly efficient in producing 2-dimensional CuO@S-doped g-CN NCs. The findings also showed a promising technique for enhancing the optical and electrical properties of bulk g-CN by combining CuO nanoparticles (NPs) with S-doped g-CN.

Cytotoxic mixed-ligand complexes of Cu(II): A combined experimental and computational study.

Herein, we report the synthesis of mixed-ligand Cu(II) complexes of metformin and ciprofloxacin drugs together with 1,10-phenanthroline as a co-ligand. The synthesized complexes were characterized using different spectroscopic and spectrometric techniques. cytotoxic activity against human breast adenocarcinoma cancer cell line (MCF-7) as well as antibacterial activity against two gram-negative and two gram-positive bacterial strains were also investigated.

New isoflavan from .

Chemical investigation of the root wood of led to the isolation of one previously undescribed isoflavan (33-7-hydroxy-2'-methoxy-[3″-hydroxy-2″,2″-dimethylpyrano (3',4')] isoflavan , together with eleven known compounds . The structure of compound was elucidated on the basis of extensive spectroscopic and spectrometric analyses (1 D and 2 D-NMR and APCI-HRMS), with absolute configurations established by comparison of experimental and DFT calculated ECD data. The assignment of the absolute configurations of C-3 and C-3″ of compounds and , respectively, were reported for the first time.

Novel Zinc(II) and Copper(II) Complexes of 2-((2-Hydroxyethyl)amino)quinoline-3-carbaldehyde for Antibacterial and Antioxidant Activities: A Combined Experimental, DFT, and Docking Studies.

In the present work, two novel complexes of zinc(II) and copper(II) were synthesized from the ligand 2-((2-hydroxyethyl)amino)quinoline-3-carbaldehyde ( ) in a 1:2 metal-to-ligand ratio in methanol. The complexes were characterized by UV-visible spectroscopy, fluorescence spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, powder X-ray diffraction (XRD), scanning electron microscopy-energy-dispersive X-ray spectroscopy (SEM-EDX), mass spectrometry (MS), nuclear magnetic resonance (NMR) spectroscopy, and thermogravimetric analysis (TGA) experimental techniques and density functional theory (DFT) calculations. The spectral data revealed that the mono-deprotonated () ligand acted as a bidentate ligand, which bound to both Zn(II) and Cu(II) ions the nitrogen atom of the amine (N-H) and the hydroxyl (O-H) groups through the deprotonated oxygen atom.

Flavanols from Tetrapleura tetraptera with cytotoxic activities.

Tetrapleura tetraptera is a medicinal plant used in East and West Africa to treat inflammation and related diseases. From the stem bark of the plant, three previously undescribed flavan-3-ol derivatives named (2R,3S)-3,3',5',7-tetrahydroxy-4'-methoxyflavane (1), (2R,3S)-3',5',7-trihydroxy-4'-methoxyflavane-3-O-β-D-glucopyranoside (2), and (2R,3S,4S)-3,3',4,5',7-pentahydroxy-4'-methoxyflavane (3) were isolated with three known analogues. The structural elucidation of the compounds was performed based on NMR spectroscopy and HRMS data analyses.

Mechanistic Studies of the Catalytic Reduction of CO to CO: Efficient CO-Releasing Si- and Ge-Based Catalysts.

Besides its significant challenges, efficient catalytic conversion of CO to value-added chemicals is highly desired. Herein, we report efficient silicon- and germanium-based catalysts for CO activation and its reduction to CO studied using B3LYP-GD3/6-31++G(d,p)/tetrahydrofuran (THF) and M06-2X/6-311++g(d,p)/THF density functional theory methods. The catalysts were systematically designed based on the previously reported silicon- and germanium-based compounds.

Synthesis, Characterization, and Biological Activities of Novel Vanadium(IV) and Cobalt(II) Complexes.

Herein, we report novel Co(II) and V(IV) complexes synthesized from an ()-2-(((2-((2-hydroxyethyl)amino)quinolin-3-yl)methylene)amino)ethan-1-ol ligand (), cobalt(II) chloride hexahydrate, and vanadyl(IV) sulfate in methanolic solutions. The ligand and the complexes were characterized by H NMR spectroscopy,C NMR spectroscopy, UV-visible spectroscopy, fluorescence spectroscopy, FT-IR spectroscopy, powder X-ray diffraction (PXRD), scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDX), mass spectroscopy (MS), thermal analysis, and molar conductance. The FT-IR spectral data showed that the ligand adopted a tridentate fashion when binding with the metal ions via the nitrogen atoms of the imine (C=N) and amine (N-H), and the oxygen atom of the hydroxyl group (O-H).

Cheap and sensitive polymer/bismuth film modified electrode for simultaneous determination of Pb(II) and Cd(II) ions.

Different aminonaphetalenesulphonic acid derivatives like 5-aminonaphthalene-1-sulphonic acid (5AN1SA), 2-aminonaphthalene-1-sulphonic acid (2AN1SA), 8-aminonaphthalene-2-sulphonic acid (8AN2SA) and 4-amino-3-hydroxynaphthalene-1-sulphonic acid (4A3HN1SA) were used to construct polymer/bismuth film modified electrode for simultaneous determination of Pb(II) and Cd(II) ions with the aim of developing a cheaper and sensitive electrode that could possibly replace Nafion. Among the different modified electrodes, poly (8AN2SA)/bismuth film modified electrodes showed the highest electrochemical response for both ions. These electrochemical results were also supported by density functional theory (DFT) calculations.

Pharmacokinetics and drug-likeness of antidiabetic flavonoids: Molecular docking and DFT study.

Computer aided toxicity and pharmacokinetic prediction studies attracted the attention of pharmaceutical industries as an alternative means to predict potential drug candidates. In the present study, in-silico pharmacokinetic properties (ADME), drug-likeness, toxicity profiles of sixteen antidiabetic flavonoids that have ideal bidentate chelating sites for metal ion coordination were examined using SwissADME, Pro Tox II, vNN and ADMETlab web tools. Density functional theory (DFT) calculations were also employed to calculate quantum chemical descriptors of the compounds.