Good Activity Research Articles

Design, Synthesis, and Biological Evaluation of Pyridazinone-Containing Derivatives As Novel Protoporphyrinogen IX Oxidase Inhibitor.

Protoporphyrinogen IX oxidase (PPO, E.C. 1.3.3.4) plays a pivotal role in chlorophyll biosynthesis in plants, making it a prime target for herbicide development. In this study, we conducted an investigation aimed at discovering PPO-inhibiting herbicides. Through this endeavor, we successfully identified a series of novel compounds based on the pyridazinone scaffold. Following structural optimization and biological assessment, compound 10ae, known as ethyl 3-((6-fluoro-5-(6-oxo-4-(trifluoromethyl)pyridazin-1(6H)-yl)benzo[d]thiazol-2-yl)thio)propanoate, emerged as a standout performer. It exhibited robust activity against Nicotiana tabacum PPO (NtPPO) with an inhibition constant (Ki) value of 0.0338 μM. Concurrently, we employed molecular simulations to obtain further insight into the binding mechanism with NtPPO. Additionally, another compound, namely, ethyl 2-((6-fluoro-5-(5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1(6H)-yl)benzo[d]thiazol-2-yl)thio)propanoate (10bh), demonstrated broad-spectrum and highly effective herbicidal properties against all six tested weeds (Leaf mustard, Chickweed, Chenopodium serotinum, Alopecurus aequalis, Poa annua, and Polypogon fugax) at the dosage of 150 g a.i./ha through postemergence application in a greenhouse. This work identified a novel lead compound (10bh) that showed good activity in vitro and excellent herbicidal activity in vivo and had promising prospects as a new PPO-inhibiting herbicide lead.

Comparative evaluation of antimicrobial activity of spinel structured transition metal ferrites supported on reduced graphene oxide against pathogenic strains of bacteria and fungi.

One of the global challenges for living things is to provide pollution and harmful microbes-free environment. In this study, magnetically retrievable spinel-structured manganese zinc ferrite (Mn0.5Zn0.5Fe2O4) (MZF) was synthesized by a facile solvothermal method. Further, the MZF with different weight percentages (10wt%, 50wt%, and 80wt%) were supported on reduced graphene oxide (rGO). The phase purity and morphology of MZF and MZF/rGO nanocomposite were confirmed by X-ray diffraction technique and scanning electron microscopy, respectively. The Fourier transform infrared spectroscopy, Raman, UV-visible spectroscopy, and thermogravimetric analyses of the as-synthesized nanocomposites were examined for the detection of various chemical groups, band gap, and thermal properties, respectively. The MZF/rGO nanocomposite exhibited significant antibacterial and antifungal activity against Eggerthella lenta, Enterococcus faecalis, Klebsiella pneumonia, Pseudomonas aeruginosa, and Candida albicans compared to bare MZF and rGO. The high surface area of rGO plays a crucible role in antimicrobial analysis. Additionally, the anti-bacterial and fungal activity is compared by synthesizing various metal ferrites such as MnFe2O4, ZnFe2O4, and Fe3O4. The 50wt% MZF/rGO nanocomposite exhibits significantly high antibacterial activity. However, 10wt% MZF/rGO nanocomposite shows good antifungal activity than Fe3O4, MnFe2O4, ZnFe2O4, MnZnFe2O4, 50wt%, and 80wt% MZF/rGO nanocomposites. These findings suggest that the prepared ferrite nanocomposites hold promise for microbial inhibition.

Cu-BTC Derived Mesoporous CuS Nanomaterial as Nanozyme for Colorimetric Detection of Glutathione

In this paper, Cu-BTC derived mesoporous CuS nanomaterial (m-CuS) was synthesized via a two-step process involving carbonization and sulfidation of Cu-BTC for colorimetric glutathione detection. The Cu-BTC was constructed by 1,3,5-benzenetri-carboxylic acid (H3BTC) and Cu2+ ions. The obtained m-CuS showed a large specific surface area (55.751 m2/g), pore volume (0.153 cm3/g), and pore diameter (15.380 nm). In addition, the synthesized m-CuS exhibited high peroxidase-like activity and could catalyze oxidation of the colorless substrate 3,3′,5,5′-tetramethylbenzidine to a blue product. Peroxidase-like activity mechanism studies using terephthalic acid as a fluorescent probe proved that m-CuS assists H2O2 decomposition to reactive oxygen species, which are responsible for TMB oxidation. However, the catalytic activity of m-CuS for the oxidation of TMB by H2O2 could be potently inhibited in the presence of glutathione. Based on this phenomenon, the colorimetric detection of glutathione was demonstrated with good selectivity and high sensitivity. The linear range was 1–20 μM and 20–300 μM with a detection limit of 0.1 μM. The m-CuS showing good stability and robust peroxidase catalytic activity was applied for the detection of glutathione in human urine samples.

Stacked High‐Entropy Hydroxides Promote Charge Transfer Kinetics for Photoelectrochemical Water Splitting

AbstractAlthough various kinds of cocatalyst are developed and decorated on the bismuth vanadate (BiVO4) photoanode, its photoelectrochemical (PEC) water splitting performance is limited owing to severe charge recombination and sluggish oxygen evolution reaction (OER). Herein, a high‐entropy hydroxide electrocatalyst (FeCoNiMoCrOOH) is constructed as a co‐catalyst deposited on BiVO4 with a good PEC activity and stability in potassium borate buffer, addressing substantial charge recombination and poor surface oxygen evolution reaction of the material. FeCoNiMoCrOOH synthesized by a simple electrodeposition stacking strategy, delivers an overpotential of 172 mV at 10 mA cm−2 with a stability of 600 h under alkaline conditions, representing one of the best performances on high‐entropy‐based catalysts. The FeCoNiMoCrOOH/BiVO4 photoanode shows a photocurrent density of 5.23 mA cm−2 at 1.23 VRHE with 100 h durability in potassium borate buffer. Experimental investigations and theoretical calculations demonstrate that the synergistic effect of Mo and Cr in FeCoNi catalyst effectively decreases the dissolution Fe, Co, and Ni after long‐term operation, increases the charge transfer kinetics, and promotes OER and PEC performances, therefore enhancing the photocorrosion resistance of BiVO4. This work provides a new avenue to design high entropy‐based electrocatalysts boosting solar water splitting activity and stability.

Radical scavenging dihydroxycinnamic natural compounds from Trianthema pentandra

BackgroundTrianthema pentandra is a promising plant with numerous medical applications. Previous studies have confirmed that the plant is strongly cytotoxic in brine shrimp lethality tests and has antibacterial effects. However, the compounds responsible for these biological activities have not been identified. This study aimed to screen plants in an antiradical assay using 1,1-diphenyl-2-picrylhydrazyl (DPPH). This assay was used to guide the isolation of active compounds, which were identified at the molecular structural level by spectroscopic methods. MethodsThe plant was extracted using ethanol, labelled F1 and fractionated by solvents of different polarities (F2 chloroform, F4 ethyl acetate, F5 aqueous methanol, and F6 n-hexane). The ethyl acetate and aqueous methanol (F4 and F5) fractions were selected for further purification based on their yields and activities. They were run on chloroform-methanol and n-hexane-ethyl acetate gradients, respectively. Fractions resulting from column chromatography were further screened for DPPH antioxidant activity, upon which fraction F5-1-077 had unusually high activity (IC50 = 3.57 µg/ml). Further purification of these fractions through recrystallization and high-performance liquid chromatography (HPLC) led to the isolation of three compounds. Results: Among these compounds, two were identified and characterized using FT-IR, LC-MS, and complete nuclear magnetic resonance (NMR) data, and 2,3-dihydroxycinnamic acid ethyl ester and its analog acid were isolated from the ethyl acetate fraction (F4). The former compound has been proven to have good activity in comparison with standards, ascorbic acid, and butylated hydroxytoluene (BHT), even at a low concentration of 5 µg/ml with an IC50 value of 0.13 µg/ml in the DPPH assay. The molecular docking data supported the potent activity of the compound with binding affinity, ∆G = -6.4 kcal/mol compared to the ascorbic acid (∆G = -5.0 kcal/mol) used as standard. ConclusionThis study serves as a groundbreaking foundation for the investigation of the natural dihydroxycinnamic compounds present in this plant.

Identification of potent inhibitors of kynurenine-3-monooxygenase from natural products: in silico and in vitro approaches

Existing inhibitors of kynurenine-3-monooxygenase (KMO) have side effects and poorly cross the blood-brain barrier. Therefore, the discovery of new molecules targeting KMO isnecessary.This study aims to develop a novel therapeutic drug targeting KMO using computational methods and experimental validation of natural compounds.The results of our study show that the top four compounds, namely, 3'-Hydroxy-alpha-naphthoflavone exhibited the best docking scores with KMO (-10.0 kcal/mol), followed by 3'-Hydroxy-ss-naphthoflavone (-9.9 kcal/mol), genkwanin (-9.2 kcal/mol) and apigenin(-9.1 kcal/mol) respectively. Molecular dynamics was used to assess the stability of the primary target, KMO, and inhibitor complexes. We found stable interactions of 3’-Hydroxy-ss-naphthoflavone and apigenin with KMO up to 100 ns. Further, kinetic measurements showed that 3'-Hydroxy-alpha-naphthoflavone and 3’-Hydroxy-ss-naphthoflavone induce competitive inhibition with a good IC50 activity (15.85 ± 0.98 μM and 18.71 ± 0.78, respectively), while Genkwanin and Apigenin exhibit non-competitive inhibition mechanism (21.61 ± 0.97μM and 24.14 ±1.00μM, respectively).Drug-likeness features and ADME analysis features also showed that the top four compounds could be used as potential candidates to replace the synthetic KMO inhibitor drugs with known side effects and poor brain-blood barrier penetration.

Construction of Fu brick tea polysaccharide-cold plasma modified alginate microgels for probiotic delivery: Enhancing viability and colonization

Emerging food processing technologies provide broader avenues for enhancing probiotic delivery systems. In this study, the new Fu brick tea polysaccharide (FBTP) was extracted and combined with cold plasma-modified alginate nano-montmorillonite (AMT) to prepare microgels by ionic gelation to improve the viability of encapsulated Lactobacillus kefiranofaciens JKSP109. Results showed that cold plasma treatment for 3 min changed the surface charge of AMT biopolymer solution, and FBTP addition reduced the particle size to the lowest of 223 ± 5.50 nm. Morphological analysis showed that the AMT treated with cold plasma for 3 min and FBTP (C3AMT + FBTP) formed a dense microgel through electrostatic interaction, and the probiotics were randomly distributed in their internal polysaccharide network, as well as the interlayer and surrounding of nanoparticles. The probiotics immobilized in C3AMT + FBTP microgel exhibited the highest viability (8.48 ± 0.03 log CFU/g) and colonic colonization after exposure to simulated gastrointestinal conditions. In addition, the good antioxidant activity of FBTP reduced the loss of probiotic viability during storage, with only 2.58 log CFU/g decreased after 4 weeks. Therefore, such probiotic products enriched with natural bioactive ingredients can be developed as a potential functional food additive.

Tunable optoelectronic performances of fluorinated benzene-EDOT based hybrid electrochromic polymers

Due to its high electronegativity and small atomic radius without undesirable steric hindrance, the incorporation of fluorine atoms into the benzene unit which started from the commercially available compounds is a feasible way to tune the energy levels of polymers, and its electrochromic application is expected to achieve a new breakthrough. Herein, in this paper, benzene units with different fluorine atom numbers were selected as the core and 3,4-ethylenedioxythiophene (EDOT) as the terminal unit, three fluorinated electrochromic precursors (FPh-EDOT, 2FPh-EDOT, and 4FPh-EDOT) were designed and synthesized by Stille coupling reaction, and the corresponding fluorinated π-conjugated electrochromic polymers (P(FPh-EDOT), P(2Ph-EDOT), and P(4FPh-EDOT)) were prepared by electrochemical polymerization method. The effects of different fluorinated benzene units on the photophysics, electrochemistry and electrochromic properties of precursors and polymers were systematically investigated, and the structure-property relationship was further revealed. All of them have low initial oxidation potentials {FPh-EDOT (0.65 V), 2FPh-EDOT (0.72 V), and 4FPh-EDOT (0.70)}, which makes it easy to obtain high-quality new fluorinated polymers at low polymerization potential. With the increase of the number of F atoms, the UV-vis absorption spectra and emission spectra of fluorinated monomer firstly red-shifted and then blue-shifted. The corresponding fluorinated polymers have good electrochemical activity and stability (the P(2Ph-EDOT) activity remained 56.3% after 500 cycles), making it possible to realize their electrochromic devices. All these three fluorinated polymers show obvious color change from the neutral state to the fully oxidized state (P(FPh-EDOT) changes from brown to grayish blue, P(2FPh-EDOT) changes from brown to gray, and P(4FPh-EDOT) changes from dark blue to light blue). The kinetic study further shows that all of them have distinguish electrochromic properties with good optical stability, very short response time (0.9 s for P(2FPh-EDOT) at 700 nm), and favorable coloration efficiency (130.7 cm2 C-1 for P(FPh-EDOT) at 503 nm). Overall, all these three fluorinated polymers have low optical band gap, good redox stability and electrochromic properties, are very promising electrochromic materials, which is worthy for the further research and development.

Newly synthesized surfactants as antimicrobial and anti-adhesion agents

Quaternary ammonium salts (QAS) are widely used in medicine, industry and agriculture as disinfectants, biocides, and fungicides. QAS have the ability to coat various surfaces, prevent adhesion of microorganisms to them and inhibit the formation of biofilm. A group of surfactants derived from benzoic acid with different chemical structures was tested: monomeric QAS with different alkyl chain lengths (C12, C14, C16), gemini QAS containing 12-carbon alkyl chains and linkers of various lengths (3,4,6 methylene groups), as well as multifunctional QAS. Among the tested surfactants, monomeric QAS showed the highest bactericidal and fungicidal activity. All three groups of tested compounds inhibited the filamentation of C. albicans. The best antimicrobial activity was demonstrated by the monomeric surfactant C12AA, while the multifunctional equivalent (2xC12AA) was characterized by good anti-adhesive activity. All tested compounds are non-mutagenic and cause low hemolysis of sheep erythrocytes. Multifunctional and gemini surfactants are also non-toxic.

Pickering emulsions stabilized by essential oil-tannin-chitosan particles: Microstructure, stability, antibacterial activity, and antioxidant activity

In this study, four different types of essential oil monomer and tannic acid were used to prepare different kinds of essential oil-tannin particles. As well as encapsulating the chemically labile essential oils, these particles could also be used as Pickering emulsifiers to prepare oil-in-water emulsions. These emulsions were co-stabilized using the essential oil-tannin particles in combination with chitosan. The resulting Pickering emulsions were shown to have good storage stability, viscoelastic properties, antioxidant activity, and antibacterial activity. The emulsions co-stabilized by cinnamaldehyde-tannin and chitosan had the smallest particle size and largest shear viscosity, shear modulus, and physical stability. An in vitro digestion study showed that the cinnamaldehyde encapsulated within these emulsions also had a relatively high bioaccessibility. Considerable differences were observed in the stabilities of emulsions prepared with different oil phase volume fractions. The more concentrated emulsions did not exhibit phase separation after 30 days storage, which was attributed to the fact that the close packing of the oil droplets prevented their movement. This study shows that essential oil-polyphenol particles can be used as multifunctional ingredients, such as antioxidants, antimicrobial agents, and emulsifiers.

Lead optimization based design, synthesis, and pharmacological evaluation of quinazoline derivatives as multi-targeting agents for Alzheimer’s disease treatment

The complexity and multifaceted nature of Alzheimer’s disease (AD) have driven us to further explore quinazoline scaffolds as multi-targeting agents for AD treatment. The lead optimization strategy was utilized in designing of new series of derivatives (AK-1 to AK-14) followed by synthesis, characterization, and pharmacological evaluation against human cholinesterase’s (hChE) and β-secretase (hBACE-1) enzymes. Amongst them, compounds AK-1, AK-2, and AK-3 showed good and significant inhibitory activity against both hAChE and hBACE-1 enzymes with favorable permeation across the blood-brain barrier. The most active compound AK-2 revealed significant propidium iodide (PI) displacement from the AChE-PAS region and was non-neurotoxic against SH-SY5Y cell lines. The lead molecule (AK-2) also showed Aβ aggregation inhibition in a self- and AChE-induced Aβ aggregation, Thioflavin-T assay. Further, compound AK-2 significantly ameliorated Aβ-induced cognitive deficits in the Aβ-induced Morris water maze rat model and demonstrated a significant rescue in eye phenotype in the Aꞵ-phenotypic drosophila model of AD. Ex-vivo immunohistochemistry (IHC) analysis on hippocampal rat brains showed reduced Aβ and BACE-1 protein levels. Compound AK-2 suggested good oral absorption via pharmacokinetic studies and displayed a good and stable ligand-protein interaction in in-silico molecular modeling analysis. Thus, the compound AK-2 can be regarded as a lead molecule and should be investigated further for the treatment of AD.

Novel magnetic separable BiOBr@Fe3O4 p-n heterostructure with highly efficient photocatalytic property toward organic pollutants

In this work, by considering good photocatalytic activity and p-type property but insufficient visible light absorbing property of BiOBr and excellent light absorption, n-type property of Fe3O4 that has poor photocatalytic property due to fast recombination of charge carriers having narrow bandgap, a solar light-active BiOBr@Fe3O4 p-n heterostructure was designed and synthesized for the first time using a versatile chemical precipitation method, combining the p-type BiOBr with the n-type Fe3O4. The developed photocatalyst underwent comprehensive investigation using various high-precision techniques. Its photocatalytic properties were assessed for the photodegradation of organic contaminants, such as Congo red (CR) and rhodamine B (Rh B), under solar light irradiation. The degree of mineralization of these pollutants by the BiOBr@Fe3O4 p-n heterostructure during photodegradation was also evaluated. Additionally, the photodegradation pathway was examined using LC-MS, and a possible mechanism were proposed. The findings reveal that the developed BiOBr@Fe3O4 p-n heterostructure exhibited exceptional photocatalytic performance, degrading 100 % and 81 % of Rh B and CR, respectively. Kinetic findings also indicate that the rate of photodegradations of the pollutants by the BiOBr@Fe3O4 heterostructure is approximately 7.2 and 3.4 times higher than that of pure Fe3O4 for the degradation of CR and Rh B, respectively. Besides, the developed heterojunction exhibited better photocatalytic performance than existing photocatalysts for photodegradation of CR and Rh B. The total organic carbon content (TOC) analysis further demonstrates the exceptional mineralization properties of the fabricated photocatalyst toward the pollutants. Therefore, the developed BiOBr@Fe3O4 p-n heterostructure shows promise in the treatment of these organic pollutants, contributing significantly to environmental remediation, particularly in photocatalysis.

Green synthesis of silver nanoparticles from Hibiscus tiliaceus L. Leaves and their applications in dye degradation, antioxidant, antimicrobial, and anticancer activities

The present study reports the green synthesis of silver nanoparticles (AgNPs) from aqueous extract of Hibiscus tiliaceus L. leaves and their application in dye degradation, antioxidant, antimicrobial, and anticancer activities. Analysis using Fourier transform infrared (FT-IR) spectroscopy revealed that plant metabolite functional groups had a role in the reduction and stability of AgNPs, and X-ray crystallography (XRD) demonstrated that the AgNPs were in crystal form. The UV–vis spectroscopy, dynamic light scattering (DLS), and zeta potential investigations revealed that the AgNPs were formed with an average size of 88.10 nm in colloidal form and were stable (-49 mV). The field emission scanning electron microscopy (FE-SEM) and high-resolution transmission electron microscopy (HR-TEM) confirmed the shape and size of the AgNPs as spherical with a particle size of 30 - 35 nm, respectively. The AgNPs exhibited potential antioxidant activity by total antioxidant, DPPH, and reducing power assays. The biosynthesized AgNPs displayed a wide range of antibacterial activity on Gram-ve and Gram+ve bacteria by the zone of inhibition assay. AgNPs showed good anticancer activity on MCF-7 cells with an IC50 value of 65.83 µg/mL. Furthermore, AgNPs acted as potential catalysts in combination with the reducing agent sodium borohydride (NaBH4) for the degradation of methylene blue (MB), methylene orange (MO), and methylene green (MG) dyes. The degradation efficiency of catalyst AgNPs in the attendance of NaBH4 for 15 min was noted to be 12.8 %, 26.92 %, and 47.56 % for MO, MB, and MG, respectively. The study concluded that green synthesized AgNPs could be highly applicable as an antioxidant, antimicrobial, and anticancer agents in the biomedical field. Furthermore, AgNPs could be helpful in the remediation of dye effluents.

A novel Pt2+ complex containing 1,4-benzodioxan-6-amine: Stability, DNA binding, and antitumor effects against human breast cancer cells

In this work, a new platinum(II) complex was prepared by the reaction of K2PtCl4 with 1,4-benzodioxan-6-amine (bda) at room temperature in the molar ratio 2:1 (L:M). The complex was characterized by physicochemical (elemental analysis, TGA/DTA, and conductivity measurements) and spectroscopic methods (UV-Vis, FTIR, 1H, 13C and 195Pt NMR). According to the spectroscopic data, two bda ligands coordinate to the platinum ion in a monodentate manner through the nitrogen atom to give the complex cis-[PtCl2(bda)2]. Stability studies were carried out under different conditions and showed that the complex is stable in pure DMF, although it undergoes slow solvolysis in DMSO. The interaction of this complex with calf thymus DNA (CT-DNA) was studied using circular dichroism (CD), electronic absorption and fluorescence spectroscopy. The complex binds to CT-DNA with a Kb value of 1.06 × 103 M−1 and according to data from CD and fluorescence spectroscopy, appears to interact with DNA by electrostatic forces and or other no intercalative binding mode. Compared to cisplatin, the complex exhibited good cytotoxic activity and selectivity against the MCF-7 tumor cell line, displaying an IC50 value of 17.33 ± 1.1 μM, as well as inhibited MCF-7 cells migration.

Butea monosperma aided green synthesis of α-MoO3 nanoparticles: Biosensing and photocatalytic activity towards hazardous dyes and rangoli colorants

Increasing environmental pollutants and the need for efficient photocatalytic and biosensing materials have led to the development of novel green synthesis methods. In this study, MoO3 nanoparticles (NPs) were successfully synthesized by using green chemistry approach. In that respect, Butea monosperma leaf powder was used as a novel fuel. Structural parameters, optical properties, shape and morphology of MoO3 NPs are examined using XRD, FTIR, UV–Vis spectrophotometer, Photoluminescence (PL), SEM - EDAX and TEM analysis. The use of MoO3 NPs as a dusting agent in fingerprint applications results in improved fingerprint visibility, which is useful in forensic investigation. In this study, we modified the GCE electrode surface with MoO3 NPs to develop a highly sensitive dopamine (DA) sensor. Electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), and differential pulse voltammetry (DPV) were used to investigate the electrochemical behaviour and electrocatalytic property of the MoO3 NPs. The synthesized NPs have excellent performance for detection of highly sensitive biologically active DA. The sensor exhibits a low detection limit of 0.45 μM. Additionally, it shows good stability, simplicity, and selectivity for the rapid detection of DA. MoO3 NPs shows good photocatalytic activity under UV light for the degradation of important textile industries dye such as methylene blue (MB) and harmful rangoli colors which are available in local shops of Tumkur, Karnataka. The photocatalyst exhibits a remarkable 97 % degradation efficiency for MB dye. Coumarin studies ensure the effective generation of OH radicals on the surface of the photocatalyst, leading to the degradation of organic dyes. Additionally, the MoO3 NPs reusability was examined, and even after four cycles, the level of photocatalytic activity did not drop much. Therefore, it is a potential photocatalyst for the processing of organic colours.

Large artificial bone from 3D printed polycaprolactone/β-tricalcium phosphate (3D PCL/β-TCP) effectively promoting MC3T3-E1 cell adhesion, proliferation, and new bone formation

The use of 3D printing technology has advanced the bone tissue engineering, and constructing large artificial bones for repairing large-scale bone defects is highly significant. This study aimed to construct large artificial bones in a precise and controllable manner, focusing on repairing critical-sized bone defects. The researchers used 3D printing technology to synthesize 3D PCL/β-TCP, and then evaluated its ability to promote MC3T3-E1 cell adhesion, proliferation, and new bone formation through a series of characterizations. The results confirmed that 3D PCL/β-TCP, presented as a lattice structure similar to natural bone, could be used to prepare personalized artificial bone blocks based on the actual range of bone defects. The researchers also experimented with dipping 3D PCL/β-TCP bone blocks in different proportions of β-TCP and found that PT2 showed better mechanical and hydrophilic properties. Further experiments showed that PT2 presented excellent biocompatibility and outstanding capacity to promote MC3T3-E1 cell proliferation and adhesion, and that 3D PCL/β-TCP bone blocks possessed good osteogenic activity. Finally, it was suggested that PT2 exhibited the property of promoting new bone formation. These findings provide experimental data support for the repair of critical-sized bone defects.

Rational design, synthesis, and antimicrobial evaluation of novel 1,2,4-trizaole-substituted 1,3,4-oxadiazole derivatives with a dual thioether moiety.

In this paper, a series of novel 1,2,4-trizaole-substituted 1,3,4-oxadiazole derivatives with a dual thioether moiety were constructed. The synthetic compounds were characterized by 1H NMR, 13C NMR, HRMS, and single crystal diffraction. The antimicrobial activities of title compounds against fungi (Pyricutaria oryzae Cav., Phomopsis sp., Botryosphaeria dothidea, cucumber Botrytis cinerea, tobacco Botrytis cinerea, blueberry Botrytis cinerea) and bacteria (Xanthomonas oryzae pv. oryzicola, Xoc; Xanthomonas axonopodis pv. citri, Xac) revealed these compounds possessed excellent antibacterial activity through mycelial growth rate method and turbidity method, respectively. Among them, compounds 7a, 7d, 7g, 7k, 7l, and 7n had the antibacterial inhibition rate of 90.68, 97.86, 93.61, 97.70, 97.26, and 92.34%, respectively. The EC50 values of 7a, 7d, 7g, 7k, 7l, and 7n were 58.31, 48.76, 58.50, 40.11, 38.15, and 46.99μg/mL, separately, superior to that of positive control pesticide thiodiazole copper (104.26μg/mL). The molecular docking simulation of compound 7l and glutathione s-transferase also confirmed its good activity. The in vivo bioassay toward Xac infected citrus leaves was also performed to evaluate the potential of compounds as efficient antibacterial reagent. Further study of antibacterial mechanism was also carried out, including extracellular polysaccharide production, permeability of bacterial membrane, and scanning electron microscope observations. The excellent antibacterial activities of these compounds provided a strong support for its application for preventing and control plant diseases.

Synthesis, characterization and antibacterial studies of ciprofloxaci-imines and their complexes with oxozirconium(IV), dioxomolybdenum(VI), and dioxotungsten(VI)

We synthesized and characterized ciprofloxacin-imine complexes, generated from ciprofloxacin and either 4-nitro-1,2-phenylenediamine (NO2PD) or 1,3-propanediamine (PD), in conjunction with zirconyl nitrate dihydrate, sodium molybdate dihydrate, and sodium tungstate dihydrate. Characterization involved numerous analytical methods, containing melting point determination, conductance dimensions, elemental analysis (CHN), metal content determination (%), infrared, electronic spectra, nuclear magnetic resonance, and mass spectrometry. Our findings reveal that the ligand as functions a tetra-dentate chelate binding to metal ions via azomethine and deprotonated carboxylate group. Additionally, the complexes and ligands were tested in contradiction of two types of bacteria (Staphylococcus aureus, Bacillus subtilis) and all prepared compounds showed good spectrum activity. KEY WORDS: 4-Nitro-1,2-phenylenediamine, Ciprofloxacin-imine, In-vitro antimicrobial activity, Zr complexes Bull. Chem. Soc. Ethiop. 2024, 38(4), 949-962.                                                         DOI: https://dx.doi.org/10.4314/bcse.v38i4.11

Self-Assembled Fe-Phenolic Acid Network Synergizes with Ferroptosis to Enhance Tumor Nanotherapy.

Natural polyphenolic compound rosmarinic acid (RA) has good antitumor activity. However, the distinctive tumor microenvironment, characterized by low pH and elevated levels of glutathione (GSH), enhances the tolerance of tumors to the singular anti-tumor treatment mode using RA, resulting in unsatisfactory therapeutic efficacy. Targeting nonapoptotic programmed cell death processes may provide another impetus to inhibit tumor growth. RA possesses the capability to coordinate with metal elements. To solve the effect restriction of the above single treatment mode, it is proposed to construct a self-assembled nanocomposite, Fe-RA. Under tumor microenvironment, Fe-RA nanocomposite exerts the characteristics of POD-like enzyme activity and depletion of GSH, producing a large amount of hydroxyl radical (·OH) while disrupting the antioxidant defense system of tumor cells. Moreover, due to the enhanced permeability and retention effect (EPR), Fe-RA can transport Fe2+ to a greater extent to tumor cells and increase intracellular iron content. Causing an imbalance in iron metabolism in tumor cells and promoting cell ferroptosis. The results of the synchrotron X-ray absorption spectroscopy (XAS) and high-resolution mass spectrometry (HRMS) prove the successful complexation of Fe-RA nanocomposite. Density functional theory (DFT) explains the efficient catalytic mechanism of its peroxide-like enzyme activity and the reaction principle with GSH.

In vitro Antibacterial, ADME and Toxicity Screening of Newly Synthesized 4-(Substituted phenyl)-2-(2-chloroquinolin-3-yl)thiazoles

A series of novel thiazole (Va-o) compounds were synthesized following multi-step synthetic process. Using analytical methods like nuclear magnetic resonance, mass spectrometry and FTIR, the elucidation of the structure of the synthesized compounds was performed. All the 15 novel thiazoles were assessed for their antibacterial activity. The synthesized thiazoles were examined for inhibitory antibacterial activity against a panel Gram-positive strain viz. Staphylococcus aureus (NCTC 65710), Streptococcus pyogenes (MTCC-442), Bacillus subtilis (NCIM 2250) and Gram-negative bacteria Pseudomonas aeruginosa (NCTC 10662) and Escherichia coli (NCTC 10418) by agar well diffusion technique. It was observed that some of the compounds, particularly those having substitution groups like chloro, fluoro and bromo in the phenyl ring bonded to thiazole nucleus, had moderate to good antibacterial activity. Quinoline clubbed thiazoles compounds Vk, Vl, Vn and Vo showed significant antibacterial against all bacterial strains having values of minimum inhibitory concentration (MIC) from 12.5 to 25 µg/mL. The results of antimicrobial investigation suggest that 2-chloroquinoline incorporated thiazole scaffold appears to more promising for developing potent antibacterial agents. Genome gyrase docking experiments (PDB ID: 1KZN) revealed a favourable binding relationship similar to that of the pre-occupied ligand clorobiocin. The study also provides in silico ADME and toxicity studies evaluation which revealed that compounds are impartially compatible and were devoid of potential toxicity except the hepatotoxicity.