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result(s) for
"Alruhaili, Mohammed H."
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A comprehensive study on characterization of biosynthesized copper-oxide nanoparticles, their capabilities as anticancer and antibacterial agents, and predicting optimal docking poses into the cavity of S. aureus DHFR
by
Alruhaili, Mohammed H.
,
Al Jaouni, Soad K.
,
Saddiq, Amna A.
in
Adenocarcinoma
,
Anti-Bacterial Agents - chemistry
,
Anti-Bacterial Agents - pharmacology
2025
The eco-friendly method of producing copperـoxide nanoparticles through the use of okra fruit extract is a simple, economical, rapid, and sustainable technique. The resultant copperـoxide nanoparticles (CuO NP) were analyzed with several analytical methods, such as UV-vis spectroscopy, FourierـTransform Infrared Spectroscopy (FT-IR), and X-Ray Diffraction (XRD), Zeta potential, TransmissionـElectron Microscopy (TEM) and EnergyـDispersive X-ray (EDX) analysis. The CuO NP exhibited a maximum absorbance at 381 nm. The formation of CuO NP was further confirmed by characteristic bands observed at 534 and 588 cm -1 . The monoclinic structure of the CuO NP was identified with prominent peaks detected at 2θ values of 32.47°, 35.43°, 38.64°, 48.68°, 53.38°, 58.14°, 61.39°, 66.11°, 67.82°, 72.27°, and 74.96°. The overall findings indicate that the nanoparticles had an average diameter in the approximate range of 10 to 30 nm based on the TEM analysis. The cytotoxicity study, conducted on Human Fibroblast normal HFB4 cell lines, indicated that the halfـmaximal inhibitory concentration (IC50) dose was 236.34 μg/mL. An IC50 dose of 109.46 μg/mL was found in antitumor effect studies using breast adenocarcinoma Mcf- 7 cell lines, revealing a good level of safety for CuO NP. According to the antibacterial study, Staphylococcus aureus and Bacillus cereus had inhibition zone diameters (IZDs) of 29.5 ± 0.7 mm and 24.6 ± 1.2 mm, respectively, making them the most vulnerable bacteria to CuO NP. In contrast, P. aeruginosa was the least sensitive strain, with a minimum IZD of 15 ± 1.6 mm. Compared to gram-negative infections, the CuO NPs were found to have a significantly higher antibacterial effectiveness versus Gram -positive pathogens. Molecular docking against dihydrofolate reductase (DHFR) of Staphylococcus aureus (PDB ID: 6P9Z) illustrated that the CuO NP was partially interlocked with the active site of 6P9Z by the fitting energy value of -44.93 kcal/mol through five classical hydrogen bonds with Ala7, Gln9, Thr46, Ser49, and Phe92. The last one is also generated by the marketing antifolate agent methotrexate (MTX), adding some MTX-like character to the CuO NP inhibitor.
Journal Article
Green synthesis, characterization, molecular simulation, and in vitro biomedical application of magnesium oxide nanoparticles
by
Alruhaili, Mohammed H.
,
Alzahrani, Ashwag Jaman
,
Saddiq, Amna A.
in
Amino acids
,
Anti-Infective Agents - chemistry
,
Anti-Infective Agents - pharmacology
2025
Microbial infections represent a major hazard to global public health, resulting in extensive morbidity and mortality across the globe. As a result, in the past 10 years, nanoparticles have drawn a lot of interest in their potential to manage microbial diseases. One of the few studies that has used a green and environmentally acceptable approach of producing magnesium oxide nanoparticles (MgONPs) was employed via using an extract from watermelon peels. UV–visible, FTIR, XRD, and TEM were used to comprehensively characterize the biosynthesized MgONPs. The synthetic MgONPs have a polycrystalline form with a median particle size of 6–17 nm, according on the characterization of the material. According to the antimicrobial results, MgONPs showed notable antimicrobial properties toward B . subtitles, S. aureus, E. coli, P. aeruginosa , and C. albicans , with an inhibition zone measuring 18.2 ± 0.36, 23.7 ± 0.4, 15.4 ± 0.25, 17.6 ± 0.56, and 16.3 ± 0.32 mm respectively. While the minimum inhibitory concentrations (MICs) varied from 50 to 200 µg/mL. MgONPs have successfully demonstrated antibiofilm potential versus MRSA. A molecular docking simulation was carried out to obtain a better understanding of the potential mechanism of MgO-NPs against the S. aureus strain. The results imply that the activity may be attributed to the dihydrofolate reductase (DHFR) with a varying degree, and the predominant interaction observed is the hydrophobic interaction with the residues’ amino acids in the active site of the pocket in S. aureus . Furthermore, the DPPH technique revealed that MgONPs had considerable antioxidant activity, with an IC 50 of 223 µg/mL. Additionally, at a dosage of 62.5 µg/mL, MgONPs exhibit possible antiviral efficacy against HAV and HSV1, with proportions of 84.7 and 49.7%, respectively. Finally, the watermelon peel extract biosynthesized MgONPs exhibit antimicrobial, antibiofilm, antioxidant, and antiviral properties that show promise to be utilized in the biomedical field.
Journal Article
Evaluating larvicidal, ovicidal and growth inhibiting activity of five medicinal plant extracts on Culex pipiens (Diptera: Culicidae), the West Nile virus vector
by
Alruhaili, Mohammed H.
,
Selim, Abdelfattah M.
,
Alkhaibari, Abeer Mousa
in
631/326/417
,
639/638
,
Animals
2024
Mosquitoes, one of the deadliest animals on the planet, cause millions of fatalities each year by transmitting several human illnesses. Synthetic pesticides were previously used to prevent the spread of diseases by mosquitoes, which was effective in protecting humans but caused serious human health problems, environmental damage, and developed mosquito pesticide resistance. This research focuses on exploring new, more effective, safer, and environmentally friendly compounds to improve mosquito vector management. Phytochemicals are possible biological agents for controlling pests and many are target-specific, rapidly biodegradable, and eco-friendly. The potential of extracts of
Lantana camara, Melia azedarach, Nerium oleander, Ricinus communis,
and
Withania somnifera
against 3rd instar
Culex pipiens
(Common house mosquito) larvae was evaluated. Methanol extracts had more toxic effects against
Cx. pipiens
larvae (95–100%, 24 h post-treatment) than aqueous extracts (63–91%, 24 h post-treatment). The methanol extracts of
Nerium oleander
(LC
50
= 158.92 ppm) and
Ricinus communis
(LC
50
= 175.04 ppm) were very effective at killing mosquito larvae, 24 h after treatment.
N. oleander
(LC
50
= 373.29 ppm) showed high efficacy in aqueous plant extracts. Among the different extracts of the five plants screened, the methanol extract of
R. communis
recorded the highest ovicidal activity of 5% at 800 ppm concentration. Total developmental duration and growth index were highly affected by
R. communis
and
M. azedarach
methanol extracts. In field tests it was clear that plant extracts decreased mosquito larval density, especially when mixed with mosquito Bti briquette, with stability up to seven days for
N. oleander
. GC–MS results showed that the methanol extract had a higher number of chemical compounds, particularly with more terpene compounds. A high-performance liquid chromatography (HPLC) technique was used to detect the existence of non-volatile polyphenols and flavonoids. All five methanol extracts showed high concentrations of active ingredients such as gallic acid, chlorogenic acid (more than 100 μg/ml) and the rosmarinic acid was also found in all the five extracts in addition to 17 active polyphenols and flavonoids presented at moderate to low concentrations. Molecular modeling of 18 active ingredients detected by the HPLC were performed to the vicinity of one of the fatty acid binding proteins of
lm
-FABP (PDB code:
2FLJ
). Rutin, Caffeic acid, coumaric acid and rosmarinic acid which presented densely in
R. communis
and
N. oleander
showed multiple and stable intermolecular hydrogen bonding and π–π stacking interactions. The inhibition ability of the fatty acid binding protein, FABP4, was evaluated with remarkable receptor inhibition evident, especially with
R. communis
and
N. oleander
having inhibitory concentrations of IC
50
= 0.425 and 0.599 µg/mL, respectively. The active phytochemical compounds in the plants suggest promising larvicidal and ovicidal activity, and have potential as a safe and effective alternative to synthetic insecticides.
Journal Article
Larvicidal activity of Acacia nilotica extracts against Culex pipiens and their suggested mode of action by molecular simulation docking
by
Alruhaili, Mohammed H.
,
Selim, Abdelfattah
,
El-Shourbagy, Nancy M.
in
631/1647
,
631/601
,
639/638
2024
Mosquitoes are one of the deadliest and most hazardous animals on Earth, where they transmit several diseases that kill millions of people annually. There is an ongoing search almost everywhere in the world for more effective and contemporary ways to control mosquitoes other than pesticides. Phytochemicals are affordable, biodegradable biological agents that specialize in eliminating pests that represent a risk to public health. The effectiveness of
Acacia nilotica
methanol and aqueous leaf extracts against 4th instar larvae was evaluated. The results revealed that the methanol extract of
A. nilotica
had a noticeable influence on the mortality rate of mosquito larvae, especially at high concentrations. Not only did the mortality rate rise significantly, but the hatching of the mosquito eggs was potentially suppressed.Terpenes, fatty acids, esters, glycosides, pyrrolidine alkane, piperazine, and phenols were the most prevalent components in the methanol extract, while the aqueous extract of
A. nilotica
exclusively showed the presence of fatty acids. The insecticidal susceptibility tests of both aqueous and alcoholic extract of
A. nilotica
confirmed that the
Acacia
plant could serves as a secure and efficient substitute for chemical pesticides because of its promising effect on killing larvae and egg hatching delaying addition to their safety as one of the natural pesticides. Molecular docking study was performed using one of the crucial and life-controlling protein targets, fatty acid binding protein (FABP) and the most active ingredients as testing ligands to describe their binding ability. Most of the structurally related compounds to the co-crystallized ligand, OLA, like hexadecanoic acid furnished high binding affinity to the target protein with very strong and stable intermolecular hydrogen bonding and this is quite similar to OLA itself. Some other structural non-related compounds revealed extraordinarily strong binding abilities like Methoxy phenyl piperazine. Most of the binding reactivities of the majortested structures are due to high structure similarity between the positive control, OLA, and tested compounds. Such structure similarity reinforced with the binding abilities of some detected compounds in the
A. nilotica
extract could present a reasonable interpretation for its insecticidal activity via deactivating the FABP protein. The FABP4 enzyme inhibition activity was assessed for of both methanolic and aqueous of acacia plant extract and the inhibition results of methanol extract depicted noticeable potency if compared to orlistat, with half-maximal inhibitory concentration (IC
50
) of 0.681, and 0.535 µg/ml, respectively.
Journal Article
Evaluating the Binding Potential and Stability of Drug-like Compounds with the Monkeypox Virus VP39 Protein Using Molecular Dynamics Simulations and Free Energy Analysis
by
Alruhaili, Mohammed H.
,
Azhar, Esam I.
,
Bajrai, Leena H.
in
Antiviral agents
,
Antiviral drugs
,
Binding energy
2024
Background/Objectives: Monkeypox is a re-emerging viral disease with features of infectiously transmitted zoonoses. It is now considered a public health priority because of its rising incidence and transmission from person to person. Monkeypox virus (MPXV) VP39 protein is identified as an essential protein for replication of the virus, and therefore, it is a potential target for antiviral drugs. Methods: This work analyzes the binding affinities and the differential conformational stability of three target compounds and one control compound with the VP39 protein through multiple computational methods. Results: The re-docking analysis revealed that the compounds had high binding affinities towards the target protein; among these compounds, compounds 1 and 2 showed the highest binding energies in the virtual screening, and thus, these were considered as the most active inhibitor candidates. Intermolecular interaction analysis revealed distinct binding mechanisms. While compound 1 had very strong hydrogen bonds and hydrophobic interactions, compound 2 had numerous water-mediated interactions, and compound 3 had only ionic and hydrophobic contacts. In molecular dynamic simulations, compounds 1 and 2 showed that the protein–ligand complexes had a stable conformation, with protein RMSD values around 2 Å for both compounds. In contrast, compound 3 was slightly flexible, and the control compound was more flexible. MM/GBSA analysis again supported these results, which gave the binding free energies that were also supportive for these compounds. Conclusions: Notably, all the selected compounds, especially compounds 1 and 2, demonstrate high binding affinity. Therefore, these compounds can be further tested as antiviral agents against monkeypox treatment.
Journal Article
The green approach of chitosan/Fe2O3/ZnO-nanocomposite synthesis with an evaluation of its biological activities
by
Almuhayawi, Mohammed S
,
Alruhaili, Mohammed H
,
Al-Rajhi, Aisha M. H
in
Biofilms
,
Biopolymers
,
Chitosan
2024
Biopolymers embedded with nanoparticles of metal oxides (MOs) demonstrate a wide range of bio-functions. Chitosan-incorporated MOs are an interesting class of support matrices for enhancing the biological function, compared to other support matrices. Therefore, the importance of this study lies in exploiting chitosan as a carrier not of one metal as in previous studies, but of two metals in the form of a nanocomposite to carry out several biological functions. The coprecipitation approach was employed to synthesize chitosan/Fe2O3/ZnO-nanocomposite in the present research. The characterization of chitosan/Fe2O3/ZnO-nanocomposite was performed to find out the morphology and dispersion properties of chitosan/Fe2O3/ZnO-nanocomposite. The X-ray diffraction (XRD) investigation revealed that these were crystalline. Fourier transforms infrared (FTIR) spectrum bands were viewed at 400/cm and 900/cm, due to the stretching vibration of Fe and Zn oxygen bond. TEM showed that chitosan/Fe2O3/ZnO-nanocomposite was of 20–95 nm in size. chitosan/Fe2O3/ZnO-nanocomposite exhibited inhibitory potential against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Candida albicans with inhibition zones of 25 ± 0.1, 28 ± 0.2, 27 ± 0.1, and 27 ± 0.2 mm, respectively while didn’t inhibited Aspergillus niger. MIC value of nanocomposite was 15.62 ± 0.33 µg/mL for C. albicans, B. subtilis and E. coli, while it was 62.50 ± 0.66 µg/mL for Pseudomonas aeruginosa. Ranged values of nanocomposite MBC (15.62 ± 0.33 to 125 ± 1 µg/mL) were attributed to all tested bacteria. Different concentrations of chitosan/Fe2O3/ZnO-nanocomposite MBC (25, 50, and 75%) reflected anti-biofilm activity against E. coli (85.0, 93.2, and 96.0%), B. subtilis (84.88, 92.21, and 96.99%), S. aureus 81.64, 90.52, and 94.64%) and P. aurogenosa (90.11, 94.43, and 98.24%), respectively. The differences in the levels of antimicrobial activities may depend on the type of examined microbes. Antioxidant activity of chitosan/Fe2O3/ZnO-nanocomposite was recorded with excellent IC50 values of 16.06 and 32.6 µg/mL using DPPH and ABTS scavenging, respectively. Wound heal by chitosan/Fe2O3/ZnO-nanocomposite was achieved with 100% compared to the untreated cells (76.75% of wound closer). The cytotoxicity outcomes showed that the IC50 of the chitosan/Fe2O3/ZnO-nanocomposite was 564.32 ± 1.46 µg/mL normal WI-38 cells. Based on the achieved findings, the chitosan/Fe2O3/ZnO-nanocomposite is a very promising agent for perform pharmacological activities.
Journal Article
Effect of ozonation on the phytochemicals of black seed oil and its anti-microbial, anti-oxidant, anti-inflammatory, and anti-neoplastic activities in vitro
2024
Black seed has been applied for several decades to cure an extensive variety of illnesses and ailments. In this report, the chemical profile of both crude and ozonized black seed oil was assessed after the oil was exposed to 0 to 5 L/minute of ozone for four hours. The in
vitro
effects of black seed oil following being exposed to ozone including antimicrobial properties versus
Bacillus cereus
(ATCC11778),
Staphylococcus aureus
(ATCC6538),
Escherichia coli
(ATCC8739),
Salmonella typhi
(ATCC 6539), and
Klebsiella pneumoniae
(ATCC13883),
Candida albicans
(ATCC10221), and
Aspergillus niger
(ATCC16888). Beside
s
, antioxidant effects, anti-inflammatory capacity, and antineoplastic function versus HCT cells were assessed. The chemical profile of ozonized black seed oil showed elevation of essential molecules of oil as well as presence of some characteristic molecules to both forms of oil. Besides, it could be noticed that exposing of oil to ozone improves its antimicrobial activity towards all tested microbes except for
C. albicans
. Both forms of oil showed no activity towards
A. niger
. Black seed oil exposed to ozone showed a promising antioxidant capacity with IC
50
of 2.93 ± 0.2 µg/ml. A dramatic improvement in anti-inflammatory impact of ozonized oil as well as its antitumor capacity towards HCT cells could be seen in the laboratory outcomes. The current findings point to a novel method for enhancing some of the in vitro medicinal uses of black seed oil by exposing it to ozone.
Journal Article
Phytochemical profiling and evaluation of antioxidant, anticancer, antimicrobial and antibiofilm activities of endophytic fungi isolated from Lavandula stricta
by
Alruhaili, Mohammed H.
,
Alharbi, Hanan M.
,
Alharbi, Mohanned Talal
in
631/326
,
631/61
,
Anti-Infective Agents - chemistry
2025
The emergence of multidrug-resistant pathogens underscores the urgent need for novel antimicrobial agents. In this study, ten endophytic fungal isolates (Ls1–Ls10) were isolated for the first time from
Lavandula stricta
and evaluated for their antimicrobial activity against
Staphylococcus aureus
,
Bacillus subtilis
,
Escherichia coli
,
Klebsiella oxytoca
, and
Candida albicans
. The most potent fungal isolate Ls1 was identified as
Sarocladium kiliense
using morphological and molecular techniques. Phytochemical analysis indicated that the
S. kiliense
extract is abundant in bioactive compounds, including phenolics, tannins, flavonoids, and alkaloids. The GC mass analysis proved the presence of 41 active compounds in the
S. kiliense
. Extract including; Benzene, (1-propylnonyl) (9.87%), Hexadecanoic acid (8.05%), Prostaglandin A1-biotin (6.77%), Docosene (6.69%), Octadecenoic acid (5.55%), and 1-Nonadecene (5.16%). The crude extract of
S. kiliense
showed outstanding anticancer activity against cancerous Hep-G2 and MCF-7 cell lines with IC50 of 31.7 and 49.8 µg/ml, respectively. This isolate exhibited significant antimicrobial activity, with inhibition zones ranging from 16.1 ± 0.1 mm to 35.5 mm. MICs varied between 62.5 and 250 µg/mL.
S. kiliense
exhibited antioxidant activity and antibiofilm activities. The
S. kiliense
extract demonstrated concentration-dependent antibiofilm activity. In conclusion,
S. kiliense
as a hopeful home of bioactive combinations with potent antimicrobial, antioxidant, anticancer, and antibiofilm activities, offering the potential for combating multidrug-resistant pathogens and therapeutic applications.
Journal Article
Unveiling Antimicrobial and Insecticidal Activities of Biosynthesized Selenium Nanoparticles Using Prickly Pear Peel Waste
by
Alruhaili, Mohammed H.
,
Al Jaouni, Soad K.
,
Selim, Tharwat A.
in
antibacterial activity
,
Antibiotics
,
Antifungal activity
2022
In the current study, prickly pear peel waste (PPPW) extract was used for the biosynthesis of selenium nanoparticles through a green and eco-friendly method for the first time. The biosynthesized SeNPs were characterized using UV-Vis, XRD, FTIR, TEM, SEM, EDX, and mapping. Characterization results revealed that biosynthesized SeNPs were spherical, polydisperse, highly crystalline, and had sizes in the range of 10–87.4 nm. Antibacterial, antifungal, and insecticidal activities of biosynthesized SeNPs were evaluated. Results revealed that SeNPs exhibited promising antibacterial against Gram negative (E. coli and P. aeruginosa) and Gram positive (B. subtilis and S. aureus) bacteria where MICs were 125, 125, 62.5, and 15.62 µg/mL, respectively. Moreover, SeNPs showed potential antifungal activity toward Candida albicans and Cryptococcus neoformans where MICs were 3.9 and 7.81 µg/mL, respectively. Furthermore, tested crud extract and SeNPs severely induced larvicidal activity for tested mosquitoes with LC50 and LC90 of 219.841, 950.087 mg/L and 75.411, 208.289 mg/L, respectively. The fecundity and hatchability of C. pipiens mosquito were significantly decreased as applied concentrations increased either for the crude or the fabricated SeNPs extracts. In conclusion, the biosynthesized SeNPs using prickly pear peel waste have antibacterial, antifungal, and insecticidal activities, which can be used in biomedical and environmental applications.
Journal Article
Field and laboratory assessment of larvicidal activity of tobacco plants and the cigarette butt waste on Culex pipiens (Linnaeus, 1758), Aedes aegypti (Linnaeus, 1762) L. and non-target organisms
by
Selim, Abdelfattah
,
Gad, Mohammed E.
,
Gawad, Samah Abdel
in
Aedes - drug effects
,
Aedes - physiology
,
Aedes aegypti
2025
Mosquitoes are the primary vectors that transmit diseases affecting humans. Chemical interventions for mosquito management have caused harm to humans, beneficial organisms, and the environment. Hence, researchers are diverting their interest to comparatively safer botanicals. The tobacco plant ( Nicotiana tabacum L.) is known to contain nicotine and other diverse bioactive phytochemicals with insecticidal properties. The current study aims to repurpose nicotine-containing cigarette butt waste (CBW), a widespread environmental pollutant that poses ecological and economic challenges due to its persistent and toxic chemical components, as friendly insecticides. The study evaluated the methanol and aqueous extracts from tobacco leaves ( Nicotiana tabacum L.) and cigarette butts (CBs) of various brands against the larvae of Culex pipiens and Aedes aegypti under field and laboratory conditions and their effects on non-target organisms. Tobacco leaves methanol extracts exhibited higher larvicidal activity (98.0–100%, at 500 ppm) than aqueous extracts (96.0–100%, at 2000 ppm). The methanol extracts of Merit CBs (LC 50 = 15.45 ppm) demonstrated greatest effectiveness against Cx. pipiens larvae, while the methanol extracts of Cleopatra CBs (LC 50 = 25.71 ppm) were found to be more effective against Ae. aegypti 24 hours post-treatment. On the other hand, the aqueous extracts of LM cigarette butts (LC 50 = 61.22 and 68.14 ppm) were recorded as most potent against Cx. pipiens and Ae. aegypti larvae than other CBs. Interestingly, the oviposition activity was higher and positive in CB-treated blackish color cups than that in control water. Field trial data showed 95% and 84% larval reduction with respective Merit CB and tobacco leaves methanol extracts 24 h post-treatment, with persistence for 6 and 3 days, respectively. GC-MS analyses showed a higher number of terpenes, flavonoids, and phenolic compounds in CB extracts. The 3-(1-methyl-2-pyrrolidinyl)-, (S)-, hexadecen-1-ol, phytol, and docosane were the main identified phytochemical compounds. Our findings demonstrate that tobacco and CBs extracts are effective larvicides and represent eco-friendly alternatives for mosquito control.
Journal Article