Synthesis and evaluation of vanillin Schiff bases as potential antimicrobial agents against ESBL-producing bacteria: towards novel interventions in antimicrobial stewardship DOI Creative Commons
Ruby Khan,

Salma Rashid,

Sumbal Khan

и другие.

Scientific Reports, Год журнала: 2024, Номер 14(1)

Опубликована: Ноя. 14, 2024

The escalating challenge of antimicrobial resistance necessitates the development novel antibacterial agents. In this study, a series five vanillin Schiff bases (SB-1 to SB-5) were synthesized from and various aromatic amines. chemical structures these compounds characterized using Thin Layer Chromatography (TLC), Fourier Transform Infrared Spectroscopy (FT-IR), proton nuclear magnetic resonance ( $$^{1}\text {H}$$ -NMR), carbon-13 NMR $$^{13}\text {C}$$ mass spectrometry techniques. Antibacterial efficacy was evaluated against strains bacteria producing extended-spectrum beta-lactamases (ESBL), including Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae disc diffusion method. Cytotoxic effects assessed through haemocompatibility brine shrimp lethality assays. demonstrated notable activities, with SB-1, SB-2, SB-4, SB-5 exhibiting zones inhibition up 16.0, 16.5, 16.6, 15.5 mm ESBL E. respectively. SB-3 showed maximum zone 15.0 K. pneumoniae. cytotoxicity assays, exhibited IC $$_{50}$$ values red blood cells (RBCs) greater than 200 μg/mL ranging 45.7 50.5 for assay. While demonstrating potent properties, toxicity towards human RBCs suggests that further evaluations structural modifications are essential developing safer therapeutic agents based on bases.

Язык: Английский

Exploring antimalarial and antioxidant properties of hydrazone ligands and their transition metal complexes: Insights through molecular docking and ADMET studies DOI
Binesh Kumar, D. S. Khurana, Jai Devi

и другие.

Inorganic Chemistry Communications, Год журнала: 2024, Номер 168, С. 112917 - 112917

Опубликована: Июль 27, 2024

Язык: Английский

Процитировано

9
Biological and Computational Studies of Hydrazone Based Transition Metal(II) Complexes DOI
Binesh Kumar, Jai Devi, Amit Dubey

и другие.

Chemistry & Biodiversity, Год журнала: 2024, Номер 21(11)

Опубликована: Июль 23, 2024

Abstract In the chronicles of human history, infectious diseases played a pivotal role, influencing societies, steering advancements in medicine, and significantly impacting well‐being people worldwide. Consequently, pursuit identifying effective combating agents for ailments, Co(II), Ni(II), Cu(II), Zn(II) complexes N′‐(4‐nitrobenzylidene)benzohydrazide were synthesized current investigation. Numerous spectral physical analysis conducted to characterize compounds which revealed octahedral stereochemistry complexes. The anti‐tuberculosis, anti‐inflammatory, antibacterial antifungal investigations demonstrated that (1–5) have significant efficacy these ailments. [Zn(L) 2 (H O) ] complex (5) has comparable TB inhibition potency streptomycin as shown by MIC value 0.0196±0.0003 μmol/mL. Additionally, studies also inhibiting property standard drugs with IC 50 (07.49±0.08 μM) (0.0098 μmol/mL) values. Furthermore, pharmacophore modeling addition molecular docking, DFT, MESP, ADMET employed against give new insight biological evaluations. suggested distinctive pharmacophoric features including cationic sites, hydrogen‐bond donors acceptors provide valuable insights into rational drug design specific pharmacological applications. Moreover, another silico authenticate bioactivity through substantial binding affinities, energy, stability, hardness, electrophilicity etc. Overall, combined computational experimental results highlight potential promising candidate tuberculosis treatment, meriting further vivo investigations.

Язык: Английский

Процитировано

6
Synthesis and Structural Characterization of Four Bidentate Ortho‐Hydroxy Schiff Bases and Their Copper (II) Complexes: Evaluation of Biological Activities, Antioxidant Power, and Molecular Docking Studies DOI Open Access

Sadia Boukreris,

Narimane Kheddam,

M. Hadj Youcef

и другие.

Applied Organometallic Chemistry, Год журнала: 2025, Номер 39(2)

Опубликована: Янв. 12, 2025

ABSTRACT Four ortho‐hydroxy aromatic bidentate Schiff bases were synthesized along with the corresponding copper (II) complexes and characterized by various analytical methods. The spatial configurations of metal suggested in light results obtained. Antibacterial evaluations revealed that ligands more active than their Cu(II) complexes. study antifungal activity showed fungus Candida albicans was inhibited (HL 3 HL 4 ) (IZ = 25 mm). According to evaluation antioxidant potency DPPH method, only ligand demonstrated a comparatively low ability scavenge free radicals compared ascorbic acid reference. Using AutoDock 4.2 program, molecular docking investigations conducted aim predicting structure–activity relationship for antibacterial qualities. sites receptor proteins, evaluated assays. A good correlation found between experimental data.

Язык: Английский

Процитировано

0
Exploring the Antiplasmodial and Antimicrobial Potential of Transition Metal(II) Complexes Bearing Hydrazone Ligands: Insights From Molecular Docking and ADMET Studies DOI Open Access
Manju Rani, Jai Devi, Binesh Kumar

и другие.

Applied Organometallic Chemistry, Год журнала: 2025, Номер 39(2)

Опубликована: Янв. 19, 2025

ABSTRACT In the search of antiplasmodium agents, hydrazone ligands, that is, (2‐hydroxy‐5‐nitrobenzylidene)benzo[b]thiophene‐2‐carbohydrazone (H 2 L 1 ) /(3,5‐dichloro‐2‐hydroxybenzylidene)benzo[b]thiophene‐2‐carbohydrazone and their Co(II), Ni(II), Cu(II), Zn(II) metal complexes were synthesized. All compounds well characterized by wide range spectral physical techniques, FT‐IR, H NMR, 13 C ESR, mass spectrometry, UV‐Vis, XRD, SEM‐EDAX, molecular conductivity, thermal studies (TG‐DTA). The coordination O‐phenolic, O‐enolic, N‐azomethine donor atoms three aqua ligands to metal(II) ions was confirmed various physicochemical affirming octahedral geometry complexes. Biological evaluation synthesized involved assessing potency utilizing microassay antimicrobial activities using serial dilution technique. Cu(II) ( 5 , 6 9 10 significantly inhibited growth parasitic ailments caused Plasmodium falciparum 3D7 strain also exhibited remarkable effectiveness against diseases microbes comparable with standard drugs (ciprofloxacin fluconazole). Moreover, theoretical study including docking employed 3,5‐dihydroxy‐2‐naphthoic acid PDB:1U5A P. protein receptor validate most potent ligand 3 – ). This analysis indicated docked could serve as a promising drug candidate for malaria. whereas ADMET profiling authenticated drug‐like features . Thus, this research provides fresh perspectives in vivo minor developments.

Язык: Английский

Процитировано

0
Exploration of newly synthesized transition metal(II) complexes for infectious diseases DOI
Binesh Kumar, Jai Devi, Amit Dubey

и другие.

Future Medicinal Chemistry, Год журнала: 2024, Номер unknown, С. 1 - 19

Опубликована: Сен. 19, 2024

In the annals of human history, infectious diseases significantly influencing collective well-being people worldwide. Consequently, to identify effective agents for ailments, octahedral Co(II), Ni(II), Cu(II), Zn(II) complexes 4-(3-methoxyphenyl)pyrimidin-2-amine and 2-methoxy-1-napthaldehyde based ligand were synthesized well characterized in current investigation.

Язык: Английский

Процитировано

2
Synthesis and evaluation of vanillin Schiff bases as potential antimicrobial agents against ESBL-producing bacteria: towards novel interventions in antimicrobial stewardship DOI Creative Commons
Ruby Khan,

Salma Rashid,

Sumbal Khan

и другие.

Scientific Reports, Год журнала: 2024, Номер 14(1)

Опубликована: Ноя. 14, 2024

The escalating challenge of antimicrobial resistance necessitates the development novel antibacterial agents. In this study, a series five vanillin Schiff bases (SB-1 to SB-5) were synthesized from and various aromatic amines. chemical structures these compounds characterized using Thin Layer Chromatography (TLC), Fourier Transform Infrared Spectroscopy (FT-IR), proton nuclear magnetic resonance ( $$^{1}\text {H}$$ -NMR), carbon-13 NMR $$^{13}\text {C}$$ mass spectrometry techniques. Antibacterial efficacy was evaluated against strains bacteria producing extended-spectrum beta-lactamases (ESBL), including Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae disc diffusion method. Cytotoxic effects assessed through haemocompatibility brine shrimp lethality assays. demonstrated notable activities, with SB-1, SB-2, SB-4, SB-5 exhibiting zones inhibition up 16.0, 16.5, 16.6, 15.5 mm ESBL E. respectively. SB-3 showed maximum zone 15.0 K. pneumoniae. cytotoxicity assays, exhibited IC $$_{50}$$ values red blood cells (RBCs) greater than 200 μg/mL ranging 45.7 50.5 for assay. While demonstrating potent properties, toxicity towards human RBCs suggests that further evaluations structural modifications are essential developing safer therapeutic agents based on bases.

Язык: Английский

Процитировано

1