Startseite Biosynthesized zinc oxide nanoparticles: Multifunctional potential applications in anticancer, antibacterial, and B. subtilis DNA gyrase docking
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Biosynthesized zinc oxide nanoparticles: Multifunctional potential applications in anticancer, antibacterial, and B. subtilis DNA gyrase docking

  • Samy Selim , Salem S. Salem EMAIL logo , Medhat E. Owda , Mohammed S. Almuhayawi , Hattan S. Gattan , Mohammed H. Alruhaili , Amna A. Saddiq , Shaimaa Hussein , Mohammad M. Al-Sanea und Soad K. Al Jaouni EMAIL logo
Veröffentlicht/Copyright: 1. März 2025
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Green Processing and Synthesis
Aus der Zeitschrift Green Processing and Synthesis Band 14 Heft 1

Abstract

In this work, extracts from okra fruit are used to create zinc oxide nanoparticles (ZnO NPs) in an economical and environmentally friendly manner. During the synthesis process, okra (Abelmoschus esculentus) extracts served as stabilizing and reducing agents. Various analytical methods were used to describe the final nanoparticles. The outcomes showed that the produced ZnO NPs primarily exhibited hexagonal shapes, with sizes ranging from 20 to 27 nm in diameter. The cytotoxicity study, conducted on human fibroblast normal HFB4 cell lines, indicated that the IC50 dose was 227.8 μg·mL−1. The IC50 dose of 119.7 μg·mL−1 was found in antitumor effect studies using breast adenocarcinoma Mcf-7 cell lines, revealing a good level of safety for ZnO NPs. Compared to Gram-negative infections, the ZnO NPs were found to have a significantly higher anti-bacterial impact against Gram-positive pathogens. Molecular docking against DNA gyrase A subunit of Bacillus subtilis (PDB ID: 4DDQ) illustrated that the ZnO NPs were interlocked with the active site of 4DDQ by a fitting energy value of −50.91 kcal·mol−1 through three classical hydrogen bonds with Asp96, Thr220, and Ala221. The last one is also generated by the marketing tromethamine drug (TRS), adding some TRS-like character to the ZnO NP inhibitor.

Keywords: zinc oxide nanoparticles; cytotoxicity; pathogenic bacteria; DNA gyrase A, molecular docking

1 Introduction

Research on nanoparticles (NPs) has garnered a lot of focus in the last few years. Nanotechnology is a developing field with the potential for the development of innovative materials and technologies [1,2]. It involves manipulating atoms on the nanoscale to design systems for various purposes. This technology can be applied to create electronic and optical components, nanomaterials, materials science, biotechnology, physics, chemistry, environmental sustainability, hygiene, and new materials used in communication technology [3,4,5,6,7,8]. Several techniques, such as physical, biological, chemical, and biological approaches, can be used to produce metal oxide nanoparticles, such as sol–gel techniques, thermal decomposition, sonochemical methods, electrochemical processes, microwave radiation, and precipitation [9,10]. Physical methods for n(NP synthesis require expensive equipment, high temperatures, and high pressure. In contrast, chemical approaches often leave toxic substances on the NPs that harm living organisms and the environment. To address these drawbacks, green synthesis, an eco-friendly approach, has replaced traditional methods. It uses natural molecules from biological tools such as bacteria, plants, algae, and fungi [11,12,13,14,15]. Therefore, recently, the adoption of plant extracts as an eco-friendly and readily available resource for generating biocompatible NPs has attracted the interest of numerous researchers [16,17,18]. This method offers benefits such as non-toxicity, cost-effectiveness, ease of preparation, and creation of NPs [19,20,21]. Various plant compounds, particularly flavonoids, contain chemical structures that can interact with metal ions to create NPs. The hydroxyl groups found in flavonoids are especially important in this process, helping to convert metal ions into their NP form [22]. These plant-derived molecules also serve as stabilizing agents for the newly formed nanomaterials, enhancing their compatibility with biological systems and overall stability [23]. The same compounds can facilitate the reduction of metal ions to nanoscale dimensions. In fact, a single step can transform metal ions into nanomaterials using plant-based agents like flavonoids, sterols, alkaloids, and phenols [24]. The specific metal used in green synthesis, along with its properties, largely determines the potential applications of the resulting NPs in various industries [25]. Numerous plant species have been effectively employed by researchers to produce various NPs [26,27,28]. Zinc oxide nanoparticles (ZnO NPs) are distinct from other metal oxide NPs due to their easily adjustable optical and chemical characteristics brought about by morphological modifications [29]. These NPs exhibit photooxidizing and photocatalytic capabilities against both living and non-living concepts [30]. In cutting-edge applications, ZnO NPs are used in various fields [31]. In addition, they hold significant promises for biological sensing and nanomedicine. Notably, durable NPs have even been created by cotton fibers [32]. Research has shown that ZnO NPs can be created using extracts from different plant sources. The plant cells used in the formation process [33] are Salvia officinalis [34], Phyllanthus niruri [35], Hibiscus subdariffa [36], Tinospora cordifolia [37], and Bauhinia variegate [38]. This research focuses on an environmentally friendly approach for producing ZnO NPs. The method explored here eschews harmful chemicals and streamlines the production process, avoiding complicated laboratory techniques. ZnO NPs were derived from Abelmoschus esculentus fruit extract, which acts as an efficient chelating and capping agent. They offer promise due to their unique properties and stability, making them valuable in biomedical fields. Furthermore, in silico molecular docking simulations of ZnO NPs with the catalytic domain of B. subtilis DNA GyrA (PDB ID: 4DDQ) was also implemented.

2 Materials and methods

2.1 Preparation of Abelmoschus esculentus fruit extract

The process of obtaining the okra fruit extract involved several steps. First, the fresh Abelmoschus esculentus fruits were washed with deionized water to eliminate any contaminants. Then, they were dehydrated to eliminate any remaining moisture and dust particles. Afterward, about 50 g of the dehydrated Abelmoschus esculentus fruits were cut using a stainless-steel knife. These cut fruits were then combined with 100 mL of purified water, forming a mixture. The mixture was stirred for 2 h at a temperature of 60°C to ensure a homogenous solution. The homogenous solution was then centrifuged for 5 min at 1,500 rpm. This process allowed for the separation of the liquid Abelmoschus esculentus fruit extract from any solid particles that may have been present. The resulting supernatant, which contained the liquid extract, was then filtered using a filter paper to remove any remaining solid materials. For later use, the filtered extract was stored in a refrigerator for further studies or experiments. This process ensures that the extract is preserved and maintained at the appropriate temperature for analysis and possible applications.

2.2 Green synthesis of ZnO NPs

ZnO NPs are created using the fruit extract from Abelmoschus esculentus: 50 mL of the extract is added dropwise to 100 mL of 1 mM zinc acetate while agitating at room temperature. The temperature is then increased to 60°C and maintained for 3 h, during which a white precipitate appears, indicating the formation of ZnO NPs. Centrifugation is used to separate the collected ZnO at 5,000 rpm for 5 min. The procedure is performed twice using purified water and methanol to eliminate the contaminants. The resulting precipitate is calcined at 500°C for 4 h to convert to pure ZnO NPs, as graphically depicted in Figure 1.

Figure 1 Illustration for ZnO NP production.
Figure 1

Illustration for ZnO NP production.

2.3 Characterization of the synthesized ZnO NPs

The optical characteristics of ZnO NPs after biosynthesis were characterized using UV-Vis spectroscopy within the wavelength range of 200–800 nm with a Shimadzu UV-1700 spectrophotometer. This technique allows for the assessment of electronic transitions in the NPs, providing insights into their optical behavior.

An Agilent Cary 630 FT-IR spectrometer was used to perform FTIR spectroscopy in the 400–4,000 cm spectrum range in order to determine which functional groups were responsible for the stabilization and reduction of ZnO NPs. KBr was used to prepare the samples for FTIR analysis, which is essential for obtaining clear and interpretable spectra by minimizing the background interference.

To ascertain the crystal form of ZnO NPs, X-ray diffraction (XRD) was performed with a Seifert 3003TT diffractometer employing Cu Kα radiation. This technique gives details on the phase purity and crystallization of the produced NPs.

Transmission electron microscopy (TEM) was employed to examine and evaluate the dimensional characteristics and structural configuration of ZnO NPs. For this investigation, a JEOL (GEM-1010) device was implemented, operating at an electrical potential of 76 kV, allowing for high-resolution imaging of the NPs to assess their size and morphology.

These characterization techniques collectively provide a comprehensive understanding of the synthesized ZnO NPs.

2.4 ZnO NPs cytotoxicity and application as antitumor agent

Cell lines of breast cancer McF-7 and fibroblast normal HFB4 were used to test the cytotoxicity and antitumor properties of ZnO NPs at the Science Way Company (Cairo, Egypt). To form a full monolayer-sheet, 100 µL/well (105 cells/mL) was added to the 96-well culture plate, and it was then incubated for 24 h at 37°C. The growth material was then removed from the 96-well microtiter plates, and the cell layer was washed twice using fresh medium. ZnO NPs were categorized into twofold dilutions in RPMI medium, and the physical characteristics of the layers, such as rounding and shrinkage, were evaluated in multiple wells. Once the mixture was prepared, 20 μL of the MTT mixture was added to each hole. For 5 min, the media were placed on a table that was trembling and shaking at 150 rpm in order to completely integrate the MTT. For 4 h, it was cultivated at 37°C with 5% CO2 to enable the MTT to metabolize. The formazan was well mixed with the metabolite, allowing it to settle for a short while, and the mixture’s spectral density was established at 560 nm.

2.5 Application of ZnO NPs as an antibacterial agent

To assess the biosynthesized antimicrobial qualities of ZnO NPs, four harmful bacteria were used. The following bacteria were cultivated on Mueller–Hinton agar media: P. aeruginosa, B. subtilis, S. aureus, and E. coli. The inhibitory impact was examined using the well diffusion technique for seven distinct ZnO NP dosages against the four infections. The medium was poured into Petri plates after 0.5 mL of each organism’s inoculum had been introduced. The wells were prepared using a 7 mm diameter sterilized cork borer as a standard reference, and 0.1 mL of ZnO NPs at different concentrations (4,000–62.5 μg·mL−1) was then added. Each plate was incubated at 37°C for a full day. The zone of inhibition (IZD) of each plate was calculated using a ruler and expressed as IZD (mm).

2.6 In silico molecular docking

According to the previously published protocol [39], a flexible-docking prediction was performed using i GEMDOCK app version 2.1. The optimal docking posture of ZnO NPs in the cavity of B. subtilis DNA gyrase A (PDB ID: 4DDQ), a significant biological target, was predicted using accurate docking based on a general evolutionary program (GA) and an empirical gaining model. The three-dimensional (3D) structure of 4DDQ complexed with tromethamine (TRS) was downloaded from RCSB Protein Data-Bank (https://www.rcsb.org), and in order to confirm that the docking approach worked, the co-crystallized blocker TRS was removed and re-docked to the appropriate catalytic domain (iGEMDOCK validation) (Figure 2). As demonstrated in Figure 2, the docked ligand (TRS) shows the same interaction mode as the crystal one, and the root mean square distance (RMSD) is within the reliable range (0.0240 Å), validating the efficiency of this protocol. After that, the crystallographic information file (CIF) of ZnO NPs was downloaded from the materials project website (https://legacy.materialsproject.org/) and modified using VESTA 3 software [40], saved as pdb format, and finally docked with 4DDQ.

Figure 2 iGEMDOCK validation. Crystal TRS (cyan) and the docked one (gray) display similar binding orientation in the binding pocket of 4DDQ with RMSD 0.0240 Å.
Figure 2

iGEMDOCK validation. Crystal TRS (cyan) and the docked one (gray) display similar binding orientation in the binding pocket of 4DDQ with RMSD 0.0240 Å.

3 Results and discussion

3.1 Visual inspection

A visible color shift and UV-Vis spectral analysis were used to demonstrate the formation of ZnO NPs. The zinc acetate solutions, when added to the extract, turned into a white precipitate, suggesting that the metabolites in the Abelmoschus esculentus fruit extract are likely responsible for reducing Zn2+ to synthesize ZnO NPs, as shown in Figure 3. Plant metabolites contain numerous functional groups, such as hydroxyl, amine, and carbonyl. These groups have the ability to engage in interactions with metal ions to help reduce them to NP sizes. This process is made possible by the rich array of phytochemicals found in plant extracts, particularly in fruits. These bioactive compounds encompass a wide range of substances, including flavonoids, alkaloids, polyphenols, aldehydes, amides, ketones, vitamins, and carboxylic acids. The presence of these diverse phytochemicals enables plants to help ensure the creation of metal NPs [41].

Figure 3 The optical appearance of the ZnO NPs: (a) Abelmoschus esculentus extract, (b) zinc acetate, and (c) extract and zinc acetate.
Figure 3

The optical appearance of the ZnO NPs: (a) Abelmoschus esculentus extract, (b) zinc acetate, and (c) extract and zinc acetate.

3.2 UV–Vis analysis

The size and form of metallic NPs have a direct impact on their absorption values. ZnO NPs typically show a sharp, single absorption peak [42]. Phytochemicals in the plant extracts convert metal ions into metal NPs, providing both reducing and stabilizing effects. UV–Vis spectroscopy was utilized to track the reaction’s development [43]. Figure 4 illustrates the significant absorption band of ZnO NPs at 370 nm.

Figure 4 UV–Vis absorption spectrum of ZnO NPs.
Figure 4

UV–Vis absorption spectrum of ZnO NPs.

3.3 FTIR spectroscopy

The presence of numerous functional groups in the green-synthesized NPs, as detected by FTIR analysis, is shown in Figure 5. According to the existing literature, green-synthesized NPs typically exhibit an organic coating derived from the reducing solution containing flavonoids and phenolic molecules. This coating is believed to enhance the stability and bioactivity of ZnO NPs and other similar NPs. For ZnO NPs, the peaks appearing at 3,442 cm−1 are due to the stretching of the OH group, and the peaks at 2,978 and 2,924 cm−1 can be attributed to the symmetric and asymmetric stretching of the C–H bond [44]. The peaks at 2,360 and 2,337 cm−1 show that CO2 is formed and may be absorbed through production [45]. The band at 1,637 cm−1 is attributed to the C–O stretching vibration of the N acetyl groups of amide-I, the band at 1,549 cm−1 is attributed to the amide II group of N–H bending, and the band at 1,436 cm−1 for the C–C stretching, and the peak at 1,386 cm−1 correlated with the C–O stretching of the COO– group and that at 1,085 cm−1 for the stretching of the C–O–C bond [46,47]. The spectral bands observed are linked to various organic compounds present in the Okra fruit extract. These biomolecules, including flavonoids, polyols, and proteins, play crucial roles in both reducing Zn ions to form ZnO NPs and stabilizing the resulting ZnO structures. This phenomenon aligns with the findings from earlier studies on similar biosynthesis processes [48]. The peak at around 900–400 cm−1 is typically ascribed to the resonance of the Zn O bonds, indicating the high crystallinity of the synthesized NPs [49,50]. Additionally, the band observed at 667 cm−1 is also characteristic of ZnO NPs. Another band formed at 420 cm−1 is due to the creation of ZnO NPs, specifically the vibrations of the zinc and oxygen bonds [51,52].

Figure 5 FTIR spectra of the green synthesized ZnO NPs.
Figure 5

FTIR spectra of the green synthesized ZnO NPs.

3.4 XRD analysis

The XRD patterns of the green-synthesized ZnO NPs using Okra fruit extract are illustrated in Figure 6; they exhibit sharp and well-defined peaks, confirming the hexagonal wurtzite structure of ZnO NPs. The characteristic diffraction peaks were observed at specific 2θ values, which can be indexed to the corresponding lattice planes of the ZnO crystal structure in accordance with the standard JCPDS-card No, 36-1451. These peaks are in accordance with the standard JCPDS card No: 36-1451. These peaks having 2θ values of 1.752°, 34.385°, 36.219°, 47.491°, 56.500°, 62.756°, and 67.838° correspond to the lattice planes 100, 002, 101, 102, 110, 103, and 112, respectively, indicating the successful formation of crystalline ZnO NPs using the green method involving Okra fruit extract. The sharp and strong peaks of diffraction devoid of any subsequent phases suggest a significant level of purity and crystals in the synthesized NPs. The Debye–Scherrer formula was used to obtain the average particle size (Table 1):

D = k λ / β cos θ

Figure 6 XRD pattern of ZnO NPs.
Figure 6

XRD pattern of ZnO NPs.

Table 1

XRD characteristics of the green synthesized ZnO NPs

Angle d value Net intensity Relative intensity FWHM
26.219° 3.39616 Å 74.3951 0.9% 0.142
34.385° 2.60601 Å 5387.30 64.8% 0.154
72.418° 1.30397 Å 173.875 2.1% 0.196
31.752° 2.81591 Å 4714.35 56.7% 0.222
36.219° 2.47815 Å 8317.25 100.0% 0.228
56.500° 1.62745 Å 2700.21 32.5% 0.239
62.756° 1.47940 Å 1868.81 22.5% 0.288
67.838° 1.38042 Å 1731.30 20.8% 0.296
68.945° 1.36092 Å 835.630 10.0% 0.304
53.944° 1.69835 Å 49.9876 0.6% 0.327
47.491° 1.91297 Å 1156.96 13.9% 0.328
76.829° 1.23973 Å 210.631 2.5% 0.336
66.246° 1.40967 Å 354.671 4.3% 0.407
4.195° 3.67558 Å 36.0741 0.4% 0.504

where D is the particle size diameter, λ is the wavelength of Cu-Kα radiation in Å, β is the full width at half-maximum, and θ is the Bragg-diffraction angle. Based on the most noticeable typical pattern for the (101) XRD plane, the diameter of ZnO NPs was calculated, and the median size of the particles of the crystallite was found to be around 26.3 nm.

The results indicate that calcination, the process of heating a substance to a high temperature, can produce highly crystalline ZnO NPs with low levels of contaminants. The purity of the resulting nanopowder was confirmed by X-ray diffraction (XRD) analysis, which showed only the characteristic peaks of ZnO NPs without any additional impurity peaks 245. This suggests that the calcination process was effective in obtaining the pure phase of ZnO NPs [53,54].

3.5 TEM-EDX analysis

As shown in Figure 7, the particles appeared to be uniform in size, with an average diameter of 20–27 nm. Some of the particles exhibited a spherical shape, while others had a hexagonal shape, indicating the different crystal structures in ZnO NPs (Figure 7a). The hexagonal particles were found to be smaller in size compared to the spherical ones. Overall, the TEM images provided valuable information about the morphology and size distribution of the pure ZnO NPs. The SAED patterns in Figure 7b show that the ZnO NPs were composed of multiple crystals, indicating that they were polycrystalline in nature. This means that the NPs were made up of many small crystalline structures rather than a single crystal. The particles were homogeneous in size and shape, with a consistent hexagonal form. This observation was further confirmed by TEM analysis [55]. EDX analysis was used in order to explore the composition of the ZnO NP sample, enabling a deeper understanding of its topography. According to EDX analysis (Figure 7c), the primary elements identified in ZnO NPs were zinc and oxygen. Two robust zinc peaks at 1 and 8.7 keV, as well as a lone oxygen peak at approximately 0.5 keV, were observed, all indicative of ZnO NPs. The increased intensity of the Zn and O peaks suggests the presence of zinc oxide within the sample. The impurity-free NP exhibits promising antimicrobial and antibiofilm activity.

Figure 7 (a) TEM image, (b) SAED, and (c) EDX profile of the green synthesized ZnO NPs.
Figure 7

(a) TEM image, (b) SAED, and (c) EDX profile of the green synthesized ZnO NPs.

3.6 Cytotoxicity and antitumor properties of ZnO NPs

The biological materials were tested for experimental cytotoxicity against types of normal cells in the initial stage of assessing their safety after being exposed to different concentrations of ZnO NPs (500, 250, 125, 62.5, and 31.25 μg·mL−1). Figure 8a shows microscopic images of the morphological alterations of HFB4 cell lines treated with 1,000–250 μg mL−1 ZnO NPs. IC50 values were calculated using the curve, which evaluated the pharmacological dosage concentration necessary to cause 50% of cell death. The IC50 value of the ZnO NPs produced on HFB4 cell lines was 227.8 μg·mL−1, according to the findings displayed in Figure 8a. ZnO NPs were used in anticancer research against Mcf-7 cell lines at several doses between 1,000 and 31.25 μg·mL−1. NPs had an impact on the vitality of Mcf-7 cell lines, as seen in the microscopic images. Based on the morphological changes observed in Mcf-7 cell lines exposed to 1,000–125 μg·mL−1 ZnO NPs, as shown in Figure 8b, it was believed that ZnO NPs had anticancer effects. ZnO NPs was 119.7 μg·mL−1, as shown in Figure 8b. Previous research also showed that ZnO NPs had higher cell survival at lower concentrations; however, as exposure duration and concentration directly affect cell viability, this varies [56]. Furthermore, the strong anticancer efficacy of the synthesized ZnO NPs targeting cells that cause liver cancer was demonstrated by a greater antiproliferative impact against HepG2 cells at a concentration of 200 µg·mL−1. Previous studies have demonstrated that ZnO NPs effectively inhibit the growth of liver cancer cells [57]. Our findings allow us to conclude that there is clear proof of the anticancer potential of environmentally produced ZnO NPs.

Figure 8 HFB4 (a) and Mcf-7 cell (b) after treatment with ZnO NPs.
Figure 8

HFB4 (a) and Mcf-7 cell (b) after treatment with ZnO NPs.

3.7 Application of ZnO NPs as an antibacterial agent

Four pathogenic bacteria, two Gram-positive and the other two Gram-negative, were used to investigate the antibacterial susceptibility of the biosynthesized ZnO NPs. Bacteria that are most susceptible were B. subtilis and S. aureus, with 30 ± 0.8 mm and 27.5 ± 1.4 mm IZD, respectively, based on the data in Figure 9a. In contrast, E. coli and P. aeruginosa growth were less affected by ZnO NPs, which had the smallest IZD and the lowest vulnerability of 19.4 ± 0.7 and 16.3 ± 0.49 mm, respectively. The results demonstrated that the MIC of ZnO NPs against B. subtilis and S. aureus microbial growth was superior to that of other strains, with MICs of 250 µg·mL−1 against both species. Conversely, E. coli and P. aeruginosa had MICs of 500 and 1,000 µg·mL−1, respectively. Compared to Gram-negative pathogens, ZnO NPs showed a substantially higher antibacterial impact against Gram-positive pathogens since (Figure 9) they abolished the antibacterial action of Gram-positive infections. According to earlier studies, ZnO NPs interact with bacterial cell membranes to increase their antibacterial action [56]. This is because ZnO NPs have a large specific surface area [58]. ZnO NPs and the cell membrane have more possibilities to exhibit the results, which encourage positive interactions with bacteria and boost activity [59]. ZnO NPs interact negatively with the bacterial cell membranes, causing reactive oxygen species to be produced and the elements that make up the membrane of bacteria to be disrupted or oxidized (Figure 9b) [56]. Furthermore, these findings imply that, in contrast to Gram-negative bacteria, Gram-positive bacteria are more vulnerable to ZnO NPs [46]. The two species of bacteria have different cell wall architectures, which explains this impact. The complex cell wall structure of Gram-negative bacteria includes an outer membrane made of lipopolysaccharides, which acts as an extra barrier against antibacterial drugs [60]. Because of its negative charges, this outer membrane makes the cell wall thicker and prevents antibacterial substances from penetrating the cell, decreasing its efficacy. However, Gram-positive bacteria are more vulnerable to antibacterial drugs due to their simpler cell wall construction [61]. The possible use of ZnO NPs as a substitute for antibacterial drugs in the therapy of bacteria is affected by these findings.

Figure 9 (a) Antimicrobial activity and (b) mechanism diagram for ZnO NPs.
Figure 9

(a) Antimicrobial activity and (b) mechanism diagram for ZnO NPs.

3.8 Molecular docking results of antibacterial target

The results of the antibacterial screening indicate that ZnO NPs had the greatest inhibitory effect on B. subtilis with an IZD of 30 ± 0.8 mm (Figure 9). To gain insights into their action mechanism, in silico molecular docking was conducted against isomerase B. subtilis DNA gyrase A subunit (homodimer), a promising target for antimicrobial agents [62]. A flexible docking simulation of ZnO NPs against 4DDQ (PDB ID) was implemented using the iGEMDOCK software version 2.1 [39]. As shown in Figure 10, ZnO NPs fitted into the active site of 4DDQ with a binding energy of −50.91 kcal·mol−1 through hydrogen bonds and electrostatic interactions. The classical H-bonds are generated between the oxygen of ZnO (as acceptors) and hydrogen donors NH and OH groups of amino acid residues, including Asp96, Thr220, and Ala221. It is worth mentioning that the last residue (Ala221, 3.03 Å) is also formed by the interaction between the NH2 and OH groups of the co-crystallized tromethamine small molecule (TRS) and Ala221 (2.70, 3.17 Å), indicating TRS-like character to the ZnO NP inhibitor. Moreover, another electrostatic interaction (charge-charge) is formed between the Zn atom and negative aspartate (Asp96, 4.43 Å), proving good stabilization of ZnO NPs within the central cavity of 4DDQ. Understanding protein–metal adherence and the network of molecules that results from the interaction of nanomaterials with biomolecules is crucial, and this understanding has led to the development of molecular docking, a tool that can be used to predict the partnership affinity of protein–metal combinations as well as the obstacles and limitations that arise when binding is not possible [63]. In prior work, AutoDock 4.2 was used to molecularly dock copper oxide against vital proteins of E. coli and S. epidermidis. The findings showed binding energies against the proteins of E. coli and S. epidermidis, suggesting possible interactions and laying the groundwork for a deeper understanding of the molecular underpinnings of the spotted antibacterial behavior in vitro toward E. coli and S. epidermidis [64]. Molecular docking has a wide range of yet little-studied applications in the biological use of ZnO NPs.

Figure 10 Molecular docking 3D representation of ZnO NPs with the active site of B. subtilis DNA gyrase A (PDB ID: 4DDQ).
Figure 10

Molecular docking 3D representation of ZnO NPs with the active site of B. subtilis DNA gyrase A (PDB ID: 4DDQ).

4 Conclusion

The current study developed a low-cost, environmentally friendly method of producing bio-functionalized ZnO NPs using Abelmoschus esculentus fruit extract. To the best of our knowledge, this is the novel work on the green fabrication bioinspired ZnO NPs from Abelmoschus esculentus fruit extract, and it also demonstrated the anticancer, antibacterial, and molecular docking properties. Using FTIR, UV-Vis, XRD, EDX, and TEM analyses, the form, architectural, and optical characteristics of the biogenic synthesized ZnO NPs were investigated. The existence of a significant absorbance band at 370 nm and XRD peaks that matched crystalline monoclinic ZnO NPs perfectly validated the creation of ZnO NPs. The distorted, mostly hexagonal with average sizes of 20–27 nm were visible using the TEM method. The appearance of solely Zn and O peaks in the EDX analysis verified the purity of the nanomaterial. The susceptibility of bacterial pathogens versus ZnO NPs was also observed with MICs of 250 µg·mL−1 for B. subtilis and S. aureus, while it was 1,000 and 500 µg·mL−1 for P. aeruginosa and E. coli, respectively. Nevertheless, their greatest anticancer effect was seen against Mcf-7, and IC50 was 119.7 μg·mL−1. Molecular docking proved the ability of ZnO NPs to be a good inhibitor of DNA gyrase A; thus, it is considered a powerful antimicrobial agent against B. subtilis. Overall, the findings confirmed that ZnO NPs fabricated employing the extract of Okra fruit have the potential to be used as active agents in various biomedical applications after further detailed clinical investigations.

Acknowledgments

The authors extend their appreciation to the Deanship of Graduate Studies and Scientific Research at Jouf University.

  1. Author contributions: Samy Selim: investigation, writing – original draft preparation, and funding acquisition. Salem S. Salem and Medhat E. Owda: conceptualization, validation, methodology, data curation, formal analysis, investigation, writing – original draft preparation, and writing – review and editing Mohammed S. Almuhayawi, Hattan S. Gattan, Mohammed H. Alruhaili, Amna A. Saddiq, Shaimaa Hussein, Mohammad M. Al-Sanea, and Soad K. Al Jaouni: data curation, formal analysis, investigation, writing – review and editing and funding acquisition.

  2. Conflict of interest: The authors state no conflict of interest.

  3. Data availability statement: The datasets generated during and/or analyzed during the current study are available from the corresponding author on reasonable request.

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Received: 2024-10-07
Accepted: 2025-01-30
Published Online: 2025-03-01

© 2025 the author(s), published by De Gruyter

This work is licensed under the Creative Commons Attribution 4.0 International License.

Artikel in diesem Heft

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  2. Optimized green synthesis of silver nanoparticles from guarana seed skin extract with antibacterial potential
  3. Green adsorbents for water remediation: Removal of Cr(vi) and Ni(ii) using Prosopis glandulosa sawdust and biochar
  4. Green approach for the synthesis of zinc oxide nanoparticles from methanolic stem extract of Andrographis paniculata and evaluation of antidiabetic activity: In silico GSK-3β analysis
  5. Development of a green and rapid ethanol-based HPLC assay for aspirin tablets and feasibility evaluation of domestically produced bioethanol in Thailand as a sustainable mobile phase
  6. A facile biodegradation of polystyrene microplastic by Bacillus subtilis
  7. Enhanced synthesis of fly ash-derived hydrated sodium silicate adsorbents via low-temperature alkaline hydrothermal treatment for advanced environmental applications
  8. Impact of metal nanoparticles biosynthesized using camel milk on bacterial growth and copper removal from wastewater
  9. Preparation of Co/Cr-MOFs for efficient removal of fleroxacin and Rhodamine B
  10. Applying nanocarbon prepared from coal as an anode in lithium-ion batteries
  11. Improved electrochemical synthesis of Cu–Fe/brass foil alloy followed by combustion for high-efficiency photoelectrodes and hydrogen production in alkaline solutions
  12. Precipitation of terephthalic acid from post-consumer polyethylene terephthalate waste fractions
  13. Biosynthesized zinc oxide nanoparticles: Multifunctional potential applications in anticancer, antibacterial, and B. subtilis DNA gyrase docking
  14. Anticancer and antimicrobial effects of green-synthesized silver nanoparticles using Teucrium polium leaves extract
  15. Green synthesis of eco-friendly bioplastics from Chlorella and Lithothamnion algae for safe and sustainable solutions for food packaging
  16. Optimizing coal water slurry concentration via synergistic coal blending and particle size distribution
  17. Green synthesis of Ag@Cu and silver nanowire using Pterospermum heterophyllum extracts for surface-enhanced Raman scattering
  18. Green synthesis of copper oxide nanoparticles from Algerian propolis: Exploring biochemical, structural, antimicrobial, and anti-diabetic properties
  19. Simultaneous quantification of mefenamic acid and paracetamol in fixed-dose combination tablet dosage forms using the green HPTLC method
  20. Green synthesis of titanium dioxide nanoparticles using green tea (Camellia sinensis) extract: Characteristics and applications
  21. Pharmaceutical properties for green fabricated ZnO and Ag nanoparticle-mediated Borago officinalis: In silico predications study
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  56. Green synthesis of parsley-derived silver nanoparticles and their enhanced antimicrobial and antioxidant effects against foodborne resistant bacteria
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https://doi.org/10.1515/gps-2024-0218
Schlagwörter für diesen Artikel
zinc oxide nanoparticles; cytotoxicity; pathogenic bacteria; DNA gyrase A, molecular docking
Creative Commons
BY 4.0

Artikel in diesem Heft

  1. Research Articles
  2. Optimized green synthesis of silver nanoparticles from guarana seed skin extract with antibacterial potential
  3. Green adsorbents for water remediation: Removal of Cr(vi) and Ni(ii) using Prosopis glandulosa sawdust and biochar
  4. Green approach for the synthesis of zinc oxide nanoparticles from methanolic stem extract of Andrographis paniculata and evaluation of antidiabetic activity: In silico GSK-3β analysis
  5. Development of a green and rapid ethanol-based HPLC assay for aspirin tablets and feasibility evaluation of domestically produced bioethanol in Thailand as a sustainable mobile phase
  6. A facile biodegradation of polystyrene microplastic by Bacillus subtilis
  7. Enhanced synthesis of fly ash-derived hydrated sodium silicate adsorbents via low-temperature alkaline hydrothermal treatment for advanced environmental applications
  8. Impact of metal nanoparticles biosynthesized using camel milk on bacterial growth and copper removal from wastewater
  9. Preparation of Co/Cr-MOFs for efficient removal of fleroxacin and Rhodamine B
  10. Applying nanocarbon prepared from coal as an anode in lithium-ion batteries
  11. Improved electrochemical synthesis of Cu–Fe/brass foil alloy followed by combustion for high-efficiency photoelectrodes and hydrogen production in alkaline solutions
  12. Precipitation of terephthalic acid from post-consumer polyethylene terephthalate waste fractions
  13. Biosynthesized zinc oxide nanoparticles: Multifunctional potential applications in anticancer, antibacterial, and B. subtilis DNA gyrase docking
  14. Anticancer and antimicrobial effects of green-synthesized silver nanoparticles using Teucrium polium leaves extract
  15. Green synthesis of eco-friendly bioplastics from Chlorella and Lithothamnion algae for safe and sustainable solutions for food packaging
  16. Optimizing coal water slurry concentration via synergistic coal blending and particle size distribution
  17. Green synthesis of Ag@Cu and silver nanowire using Pterospermum heterophyllum extracts for surface-enhanced Raman scattering
  18. Green synthesis of copper oxide nanoparticles from Algerian propolis: Exploring biochemical, structural, antimicrobial, and anti-diabetic properties
  19. Simultaneous quantification of mefenamic acid and paracetamol in fixed-dose combination tablet dosage forms using the green HPTLC method
  20. Green synthesis of titanium dioxide nanoparticles using green tea (Camellia sinensis) extract: Characteristics and applications
  21. Pharmaceutical properties for green fabricated ZnO and Ag nanoparticle-mediated Borago officinalis: In silico predications study
  22. Synthesis and optimization of gemcitabine-loaded nanoparticles by using Box–Behnken design for treating prostate cancer: In vitro characterization and in vivo pharmacokinetic study
  23. A comparative analysis of single-step and multi-step methods for producing magnetic activated carbon from palm kernel shells: Adsorption of methyl orange dye
  24. Sustainable green synthesis of silver nanoparticles using walnut septum waste: Characterization and antibacterial properties
  25. Efficient electrocatalytic reduction of CO2 to CO over Ni/Y diatomic catalysts
  26. Greener and magnetic Fe3O4 nanoparticles as a recyclable catalyst for Knoevenagel condensation and degradation of industrial Congo red dye
  27. Recycling of HDPE-giant reed composites: Processability and performance
  28. Fabrication of antibacterial chitosan/PVA nanofibers co-loaded with curcumin and cefadroxil for wound healing
  29. Cost-effective one-pot fabrication of iron(iii) oxychloride–iron(iii) oxide nanomaterials for supercapacitor charge storage
  30. Novel trimetallic (TiO2–MgO–Au) nanoparticles: Biosynthesis, characterization, antimicrobial, and anticancer activities
  31. Green-synthesized chromium oxide nanoparticles using pomegranate husk extract: Multifunctional bioactivity in antioxidant potential, lipase and amylase inhibition, and cytotoxicity
  32. Therapeutic potential of sustainable zinc oxide nanoparticles biosynthesized using Tradescantia spathacea aqueous leaf extract
  33. Chitosan-coated superparamagnetic iron oxide nanoparticles synthesized using Carica papaya bark extract: Evaluation of antioxidant, antibacterial, and anticancer activity of HeLa cervical cancer cells
  34. Antioxidant potential of peptide fractions from tuna dark muscle protein isolate: A green enzymatic approach
  35. Clerodendron phlomoides leaf extract-mediated synthesis of selenium nanoparticles for multi-applications
  36. Optimization of cellulose yield from oil palm trunks with deep eutectic solvents using response surface methodology
  37. Nitrogen-doped carbon dots from Brahmi (Bacopa monnieri): Metal-free probe for efficient detection of metal pollutants and methylene blue dye degradation
  38. High energy density pseudocapacitor based on a nanoporous tungsten(VI) oxide iodide/poly(2-amino-1-mercaptobenzene) composite
  39. Green synthesized Ag–Cu nanocomposites as an improved strategy to fight multidrug-resistant bacteria by inhibition of biofilm formation: In vitro and in silico assessment study
  40. In vitro evaluation of antibacterial activity and associated cytotoxicity of biogenic silver nanoparticles using various extracts of Tabernaemontana ventricosa
  41. Fabrication of novel composite materials by impregnating ZnO particles into bacterial cellulose nanofibers for antimicrobial applications
  42. Solidification floating organic drop for dispersive liquid–liquid microextraction estimation of copper in different water samples
  43. Kinetics and synthesis of formation of phosphate composites from low-grade phosphorites in the presence of phosphate–siliceous shales and oil sludge
  44. Removal of minocycline and terramycin by graphene oxide and Cr/Mn base metal–organic framework composites
  45. Microfluidic preparation of ceramide E liposomes and properties
  46. Therapeutic potential of Anamirta cocculus (L.) Wight & Arn. leaf aqueous extract-mediated biogenic gold nanoparticles
  47. Antioxidant-rich Micromeria imbricata leaf extract as a medium for the eco-friendly preparation of silver-doped zinc oxide nanoparticles with antibacterial properties
  48. Influence of different colors with light regime on Chlorella sp., biomass, pigments, and lipids quantity and quality
  49. Experimental vibrational analysis of natural fiber composite reinforced with waste materials for energy absorbing applications
  50. Green synthesis of sea buckthorn-mediated ZnO nanoparticles: Biological applications and acute nanotoxicity studies
  51. Production of liquid smoke by consecutive electroporation and microwave-assisted pyrolysis of empty fruit bunches
  52. Synthesis of MPAA based on polyacrylamide and gossypol resin and applications in the encapsulation of ammophos
  53. Application of iron-based catalysts in the microwave treatment of environmental pollutants
  54. Enhanced adsorption of Cu(ii) from wastewater using potassium humate-modified coconut husk biochar
  55. Adsorption of heavy metal ions from water by Fe3O4 nano-particles
  56. Green synthesis of parsley-derived silver nanoparticles and their enhanced antimicrobial and antioxidant effects against foodborne resistant bacteria
  57. Unwrapping the phytofabrication of bimetallic silver–selenium nanoparticles: Antibacterial, Anti-virulence (Targeting magA and toxA genes), anti-diabetic, antioxidant, anti-ovarian, and anti-prostate cancer activities
  58. Optimizing ultrasound-assisted extraction process of anti-inflammatory ingredients from Launaea sarmentosa: A novel approach
  59. Eggshell membranes as green carriers for Burkholderia cepacia lipase: A biocatalytic strategy for sustainable wastewater bioremediation
  60. Research progress of deep eutectic solvents in fuel desulfurization
  61. Enhanced electrochemical synthesis of Ni–Fe/brass foil alloy with subsequent combustion for high-performance photoelectrode and hydrogen production applications
  62. Review Article
  63. Sustainable innovations in garlic extraction: A comprehensive review and bibliometric analysis of green extraction methods
  64. Rapid Communication
  65. In situ supported rhodium catalyst on mesoporous silica for chemoselective hydrogenation of nitriles to primary amines
  66. Special Issue: Valorisation of Biowaste to Nanomaterials for Environmental Applications
  67. Valorization of coconut husk into biochar for lead (Pb2+) adsorption
  68. Corrigendum
  69. Corrigendum to “An updated review on carbon nanomaterials: Types, synthesis, functionalization and applications, degradation and toxicity”
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Heruntergeladen am 27.10.2025 von https://www.degruyterbrill.com/document/doi/10.1515/gps-2024-0218/html
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