Iraqi Journal of Bioscience and Biomedical

Computational modeling has gained remarkable prominence in medicinal chemistry, offering a powerful framework for accelerating the discovery and optimization of triazole-based therapeutics. These derivatives, widely recognized for their antifungal, anticancer, and antiviral activities, have been extensively studied through the combined application of Quantitative Structure Activity Relationship (QSAR) modeling and molecular docking. While QSAR analysis quantitatively links molecular descriptors to biological activity, docking simulations reveal binding orientations, interaction profiles, and affinity patterns. Recent advances incorporating machine learning and artificial intelligence have markedly improved predictive performance, enabling more rational lead selection. Nonetheless, current limitations such as incomplete or low-quality datasets, reduced interpretability, and biological oversimplifications pose significant challenges. To address these, hybrid approaches that integrate physics-based modeling with data-driven algorithms, together with innovations such as ensemble docking, explainable AI, and quantum mechanics-based simulations, are emerging as promising solutions. By leveraging these developments, computational strategies can more effectively bridge the translational gap between in silico predictions and experimental validation, ultimately reducing attrition rates and expediting the drug development pipeline.

Highly stable urea biosensor was prepared using silver oxide nanoparticles (Ag NPs), which were used in a paste with urease enzyme. The urea biosensor was prepared using a urea-selective electrode with urease-immobilized nanoparticles. The synthesized nanoparticles were characterized using scanning electron microscopy ( FE-SEM) and Energy Dispersive X-ray Spectroscopy, and the formation of silver oxide was detected and confirmed using infrared spectroscopy. The potentiometric response of the biosensor was examined as a function of different urea solution concentrations,an enzymebased urea sensor through immobilization of the enzyme urease that was found to be sensitive to urea concentrations from 0.1 M to 0.000001 M. Linear sensitivity regions were observed when the electrochemical responses (electromotive Force) of the sensors were plotted vs. the logarithmic concentration range of urea from 0.01 M to 0.00001M. The proposed sensor showed a sensitivity of 59.28 mV/decade for 0.01- 0.00001 M urea and a fast response time of less than 30s was achieved with good selectivity, reproducibility and negligible response to common interferon’s such as glucose, cholesterol, uric acid , lactic acid and ascorbic acid .

Hashimoto’s thyroiditis (HT), also recognized as chronic autoimmune thyroiditis or lymphocytic thyroiditis, is an autoimmune disease that targets the thyroid gland causing both dysfunction and tissue destruction. The aim of this case-control study is to investigate the association of human interleukin 18(IL-18), a pro-inflammatory cytokine, serum levels and HT in Iraqi population. the total number of subjects is 100, 50 patients with HT and 50 healthy controls were included. The concentrations of IL-18 serum levels were measured using ELISA. The results of this study revealed that the IL-18 serum levels were significantly elevated in HT patients (555.97±20.51 pg/ml) comparing to the control which were (308.73 ±7.18 pg/ml) regardless of the gender of individual, and the difference between the groups was statistically significant at P≤0.01. the applied statistical tests were the mean, standard error, T-test and P-value. These findings suggest that IL-18 may be involved in the underlaying pathogenicity mechanisms of HT.

Hashimoto\'s disease, a prevalent autoimmune thyroid disorder, results from the immune system\'s progressive destruction of thyroid tissue, leading to hypothyroidism. The pathogenesis involves a complex interplay of genetic, environmental, and immunological factors. In recent years, microRNAs (miRNAs)—small, non-coding RNA molecules that regulate gene expression—have emerged as significant contributors to autoimmune processes, including Hashimoto\'s thyroiditis. This review explores the role of miRNA regulation in the etiology and progression of Hashimoto’s disease. Key miRNAs such as miR-146a, miR-155, and miR-21 have been identified as regulators of immune cell function, inflammatory signaling pathways, and thyroid-specific gene expression. Dysregulation of these miRNAs contributes to the breakdown of immune tolerance and the chronic inflammation characteristic of the disease. Additionally, miRNAs show potential as non-invasive biomarkers for early diagnosis and as therapeutic targets. Clinical studies support the utility of serum and tissue miRNA profiling for disease monitoring and prognosis. Despite promising advances, further research is needed to standardize miRNA-based diagnostics and develop effective miRNA-targeted therapies. Understanding miRNA involvement in Hashimoto\'s disease opens new avenues for improving diagnosis, monitoring, and treatment of this complex autoimmune condition.

Molecular techniques are considered gold-standard tools for bacterial identification, detection of virulence genes, and whole genome sequence analysis. To achieve these goals, bacterial genomic DNA must first be extracted and purified. One of the main challenges in DNA extraction process is the bacterial cell wall, which is particularly tough and difficult to lyse, especially in Gram-positive bacteria.
Staphylococcus aureus is a Gram-positive pathogenic bacterium that causes a wide range of infections in humans and animals. It has a strong cell wall, which is hard to lyse. In this study, liquid nitrogen (-196oC) has been used for this purpose. The results showed high DNA concentration and purity by nanodrop spectroscopy; the concentration, from 3 ml bacterial culture, ranged between 800 and 2500 ng/µl with a purity between 1.8 and 2.1. In addition, DNA integrity was confirmed by gel electrophoresis. As well as the quality of purified DNA was confirmed by PCR. The Staphylococcus aureus nuc gene, which is widely used in molecular detection, was successfully amplified, and the obtained PCR product size was 279 bp. In the present research, the protocol used for S. aureus cell lysis by liquid nitrogen showed high efficacy, resulting in high DNA concentration and quality as well as reducing the time and cost.

The role of the review is to discuss how to separate enantiomers of vitamins. Pharmaceutical, nutraceutical, and agrochemical industries are particularly emphasized in this article. High-performance liquid Chromatography (HPLC) is a widely used technique because it is versatile and efficient for separation. HPLC uses chiral stationary phases such as cyclodextrins, polysaccharides, and protein-based chiral stationary phases to resolve vitamins such as E, D, and C. Capillary electrophoresis (CE) can separate chiral vitamins such as B6 and B12 by utilizing electric field-induced differential enantiomer migration. This is accomplished through \'chiral selectors\', compounds that can only bind selectively to one enantiomer, thereby aiding in their separation process. Standard chiral selectors include crown ethers and cyclodextrins. Gas Chromatography (GC), less frequently employed for vitamins than other techniques, works well provided columns have coatings consisting of chiral stationary phases like cyclodextrins or polysaccharides. The latter has been proved in the resolution of the enantiomers of vitamins A and K, suggesting that it could be applied more in future times. Supercritical Fluid Chromatography (SFC) is an eco-friendly way to separate vitamin B1 and B5 enantiomers. It employs supercritical fluids as the mobile phase. This approach can utilize different chiral stationary phases and quickly analyze samples while consuming less solvent, making it environmentally friendly. Enantiomeric separation methodologies guarantee the quality and efficacy of products in the pharmaceutical and nutraceutical industries. Continuous advancement in chiral analysis and optimum chemical usage is needed to maintain high product quality and efficacy standards. This highlights the need for more rigorous research on enantiomer separation techniques.

Rodents and flies are major pests threatening public health and agriculture, with conventional chemical control leading to resistance, environmental contamination, and non-target species harm. This study evaluated Nerium oleander leaf extract, a botanical pesticide rich in alkaloids, terpenes, saponins, tannins, and flavonoids, encapsulated in biodegradable polyethylene glycol (PEG) nanoparticles for enhanced pest control. Extracts were prepared via alcohol-based extraction, and nanocapsules were formulated using PEG, characterized by FTIR, FESEM, and Dynamic Light Scattering. The nanocapsules averaged 346.5 nm in size (FESEM core ≈158.77 nm) and retained functional integrity. Bioassays on pest larvae revealed that while crude extracts achieved 83.33% mortality at 1500 ppm (LC₅₀ = 385.72 ppm), PEG-nanocapsules reached 93.33% mortality at 250 ppm (LC₅₀ = 73.91 ppm), indicating markedly enhanced potency. PEG nanocapsulation improved stability, controlled release, and reduced required doses, offering an eco-friendly, biodegradable alternative to conventional pesticides. These findings highlight the potential of botanical nanoinsecticides as sustainable solutions for integrated pest management.

Benzoxazin-2-one derivatives are a unique class of organic heterocyclic compounds known for their remarkable chemical stability and bioactivity. These compounds exhibit diverse therapeutic properties, including anticancer, antioxidant, and antimicrobial activities. This review highlights the synthesis, interaction, and therapeutic applications of metal ion complexes derived from benzoxazin-2-one. Coordination with metal ions such as Zn²⁺, Cu²⁺, and Fe³⁺ enhances the chemical stability, solubility, and bioavailability of these compounds, significantly improving their pharmacological potential. Recent advancements in green chemistry have introduced sustainable and eco-friendly methods for synthesizing these complexes, contributing to reduced environmental impact. Additionally, nanoscale characteristics of metal ion complexes, such as increased surface area and improved reactivity, further enhance their therapeutic efficacy, enabling targeted delivery and reduced toxicity. The potential applications of these complexes span from combating infectious diseases to environmental monitoring and biosensing. This review provides a comprehensive overview of the synthetic strategies, molecular interactions, and promising biological applications of benzoxazin-2-one metal ion complexes, establishing them as vital candidates in drug design and development

Nanomaterial’s represent powerful tools in disease detection and biomedical applications due to their unique structural and functional properties. Nanowires, in particular, offer remarkable sensitivity and nanoscale dimensions, especially when functionalized with antibodies capable of selectively binding to essential biomolecules such as DNA, proteins, or other cellular components.In this study, Aloe vera samples were collected from the local market in Baghdad, and aqueous leaf extracts were prepared using standard extraction methods. Zinc oxide (ZnO) nanoparticles were subsequently synthesized using the Aloe vera extract as both a reducing and stabilizing agent. The synthesized nanoparticles were characterized using Fourier-transform infrared spectroscopy (FTIR), field emission microscopy (FEM), confirming their structural integrity and optical features.The antibacterial activity of ZnO nanoparticles and Aloe vera extract was assessed against Bacillus cereus. Bacterial cultures were exposed to different concentrations of the nanocomposite nanoparticles (1, 2, and 3 mg/ml) as well as equivalent concentrations of the plant extract. Both treatments inhibited bacterial growth, with ZnO nanoparticles exhibiting a more pronounced antibacterial effect. The minimum inhibitory concentration (MIC) was determined to be 15.6 mg/ml.To further evaluate the molecular impact, quantitative real-time PCR (qRT-PCR) was performed to analyze the expression levels of the cytK1 and cytK2 genes in B. cereus isolates treated with ZnO nanoparticles and Aloe vera extract. RNA and cDNA concentrations were measured using the Quantus Fluorometer prior to analysis. The results demonstrated significant modulation of target gene expression by both treatments, with ZnO nanoparticles exerting a stronger regulatory effect, particularly in isolates harboring the cytK gene.The findings highlight that ZnO nanoparticles synthesized via Aloe vera extract possess enhanced antibacterial activity and gene regulatory effects compared to the crude extract alone. These results underscore their potential application as eco-friendly nanobiomaterials for antimicrobial and molecular therapeutic strategies.

Nowadays, the world is witnessing the threat of the ineffectiveness of currently prescribed antibiotics to treat pathogenic bacteria. as a result of the intensive use of antibiotics in medicine and agricultural fields. Therefore, bacteria have developed a resistance to antibiotics. Staphylococcus aureus was the first bacterium to show resistance to antibiotics in the mid-1940s against penicillin. Later on, S. aureus developed resistance to many different antibiotics, such as methicillin-resistant S. aureus (MRSA). Therefore, bacteriophages are good, effective alternatives, and they demonstrate a high ability to kill bacteria, including S. aureus bacteriophages and are considered excellent biotic mortality agents and a novel biocontrol method versus antibiotics. In this review paper, we highlighted the pathogenicity of S. aureus and its ability to resist various types of antibiotics, as well as the application of different phages against S. aureus bacteria.

Acute myeloid leukemia (AML) is a heterogeneous myeloid disorder resulting from the abnormal proliferation of immature myeloid cells, leading to bone marrow failure. Leukemias are among the most common hematologic malignancies. The development of AML has been linked to several factors, including inherited genetic changes, previous illnesses, environmental and occupational factors, exposure to infectious agents, and some previous treatments. However, none of these factors apply to all cases. Scientific evidence suggests a relationship between hormonal imbalances, particularly pituitary hormones and steroids, and the onset of the disease. These hormonal imbalances can disrupt the body\'s physiological balance, which in turn affects overall health and the course of other diseases, even if they are not directly related to leukemia. This review aims to highlight research on the relationship between various hormonal axes and AML, and how this understanding may contribute to the development of new targeted therapeutic strategies.

Brucellosis, worldwide prevalent zoonotic disease also consider a major public health concern predominantly in developing area where livestock and humans cooperate frequently. Brucella is cause by Brucella species for instance Brucella abortus and Brucella melitensis then it is transmit primarily via direct contact with infected animals or the ingesting of unpasteurized animal products. Brucella has role in spontaneous abortion in women link between brucellosis and mistake in pregnant women is receiving cumulative attention. Developing indication proposes that brucellosis can restrict to triggering inflammatory responses, specific peripheral tissues, and harm to the embryo, donating to opposing pregnancy consequences, with miscarriage and stillbirth, where the neonatal begins to convert infected. Diagnosis remains interesting in pregnant women because of symptoms are nonspecific and restrictions of serological test difficult molecular methods for detailed detection. Treatment are further complicated by essential to endorse maternal efficacy and fetal safety with routines often narrow to rifampicin and trimethoprim-sulfamethoxazole via pregnancy. Brucella infection endures to carriage an important social and economic load, emphasizing need for developed diagnostic strategies, improved clinical consciousness and safe therapeutic involvements designer exactly to pregnancy. Association with miscarriage is dangerous to successful maternal health consequences and easing public health worries in endemic regions. Aim to understanding link between brucellosis and miscarriage in pregnant women.

Tubulin inhibitors cure aggressive breast tumors, particularly triple-negative. They disrupt cell-dividing microtubules to halt cancer cell proliferation. Triazole heterocyclic scaffolds are popular in pharmaceutical science owing to their various biological activity and drug-like characteristics. Study examines synthesis, FTIR and 1H-NMR characterisation, and molecular docking of Mannich base triazole derivatives targeting the β-tubulin binding site (PDB ID: 3O2F), a proven breast cancer therapeutic focus. Isatin was condensed with piperazine and formaldehyde, then imines were formed by utilizing 4-aminobenzoic acid. Due to increased solubility and binding selectivity, synthesized derivatives (A1, A2, A3, F) were structurally optimized using DFT (B3LYP/6-31G) and assessed using MOE tool. Docking studies showed that all of the compounds had larger binding affinities than PU-H54 (–7.17 kcal/mol), with compound F having the highest score of –9.23. These findings are encouraging, but further in vitro and in vivo testing is needed to determine their medicinal potential.

Acute myeloid leukemia (AML) is a disease which results from the uncontrolled expansion of immature myeloid cells that have different chromosomal defects. There is a family of micro-RNAs that control the development of the disease. These comprise cellular proliferation, survival, and differentiation. The aim of this study is to determine the diagnostic value of miRNA-34a and miRNA-28 by comparing the relative expression of healthy controls with newly diagnosed acute myeloid leukemia cases and investigate if the expression level of the miRNA is different depending on sub-type and new diagnosis cases.
In a retrospective case-control study, 40 AML newly diagnosed patients and 20 age and sex matched healthy controls were enrolled. The peripheral blood samples were taken, and total miRNA was extracted and the levels of miR-34a and miR-28 were measured through qRT-PCR by using U6 as the endogenous control. The 2-∆∆ct method was used to determine relative expression. Diagnostic performance was measured by receiver operating characteristic (ROC) curve analysis and statistical significance was taken as p < 0.05.
There were strong down-regulations in MiR-34a in patients with AML compared to controls (mean fold-change 0.052 vs 1.0, p < 0.0001) and there were no significant differences in each French American-British (FAB) subtype (M0-M5, p > 0.05). MiR-28 was found to be expressed numerically higher in AML (mean fold-change 1.57 vs 1.0) but not statistically significantly folded-changed (p = 0.535) and no subtype specific pattern. ROC analysis revealed that miR-34a fold-change has a high diagnostic accuracy on AML with sensitivity of 90.32% and specificity of 89.66%, p = 0.0001, but miR-28 had moderate diagnostic accuracy with sensitivity of 58.28% and specificity of 90.32%, p = 0008.





MiR-34a is greatly downregulated in AML and has good diagnostic characteristics as a non-invasive biomarker, regardless of FAB subtype. The expression of MiR-28 is more heterogeneous and can be complementary, but not an independent marker. The results indicate the additional confirmation of miR-34a-based assays in larger, multi-centered cohorts to perfect the diagnostics of AML and risk assessment.

Agaricus bisporus and Pleurotus ostreatus extracts before and after boiling, along with their detailed chemical composition. The chemical analysis of dried mushroom extracts of A. bisporus and P. ostreatus, carried out before and after boiling, revealed notable variations in their biochemical constituents. The unboiled extract of A. bisporus contained protein (27.11%), vitamin C (33.62 mg/100 g), total phenols (8.90 mg/100 g), glutamine (187.2 mg/100 g), lysine (82.7 mg/100 g), β-glucan (6.33 mg/100 g), and glucose (0.677%), respectively. In contrast, the corresponding unboiled P. ostreatus extract contained protein (21.70%), vitamin C (55.03 mg/100 g), total phenols (14.97 mg/100 g), glutamine (101.9 mg/100 g), lysine (100.5 mg/100 g), β-glucan (8.17 mg/100 g), and glucose (0.800%), respectively. After boiling, the A. bisporus extract exhibited decreased levels of protein (15.29%), vitamin C (11.09 mg/100 g), total phenols (4.55 mg/100 g), glutamine (156.8 mg/100 g), lysine (77.6 mg/100 g), β-glucan (9.21 mg/100 g), and glucose (2.2%), while the P. ostreatus extract showed protein (12.88%), vitamin C (17.33 mg/100 g), total phenols (8.32 mg/100 g), glutamine (98.1 mg/100 g), lysine (95.0 mg/100 g), β-glucan (11.09 mg/100 g), and glucose (1.86%), respectively. The antimicrobial assay demonstrated that the A. bisporus extract before boiling exhibited potent in vitro antibacterial activity against all tested pathogens, showing inhibition zones of 11 mm against Pseudomonas aeruginosa, 15.2 mm against Staphylococcus aureus, and 14.7 mm against Escherichia coli. Similarly, P. ostreatus extract showed activity against all tested bacteria, with inhibition zone diameters ranging from 13.2 to 17.6 mm, indicating moderate inhibitory efficacy (average diameter 14.4 mm).However, all boiled ethanol extracts of A. bisporus and P. ostreatus exhibited reduced antibacterial effectiveness against P. aeruginosa, S. aureus, and E. coli, with inhibition zones ranging between 3.4 and 8.6 mm. These findings suggest that thermal processing (boiling) significantly affects both the chemical composition and antimicrobial potential of mushroom extracts, mainly due to the degradation of heat-sensitive bioactive compounds such as vitamin C and phenolic constituents.

Angiotensin-converting enzyme 2 (ACE2) receptors play a pivotal role in regulating blood pressure and electrolyte homeostasis. SARS-CoV-2 exploits these receptors to enter host cells, potentially disrupting their physiological role and leading to electrolyte imbalances in recovered patients. The objectives of this research is to investigate the prevalence of persistent electrolyte disturbances in individuals recovering from COVID-19 and to use in silico modeling to examine the molecular interaction between the ACE2 receptor and the viral peplomer protein. A total of 200 recovered COVID-19 recovered patients (aged 20–49 years) and 100 healthy controls (aged 22–46 years) were evaluated. Serum levels of calcium, potassium, sodium, and chloride were measured in the study subjects in addition to urea and creatinine in order to assess the kidney function of the subjects. Computational docking and structural analysis were performed using CASTpFold to analyze the active site of the human ACE-2 receptor (PDB: 1R42) and its interaction with the SARS-CoV-2 spike protein. Recovered individuals exhibited high rates of hyponatremia (52.5%), hypokalemia (47.5%), and hypocalcemia (62.5%), with lower incidences of hypochloremia (5%), hypernatremia (4%), and hyperchloremia (7.5%). In silico analysis revealed a large ACE2 active site (area: 4183.429 Ų; volume: 8098.169 ų) with clearly defined ligand-binding regions implicated in spike protein binding, providing structural insight into the receptor\'s functional disruption. The findings suggest that SARS-CoV-2-induced modulation of ACE2 contributes to lasting electrolyte imbalances in post-COVID-19 recovered patients. These disturbances may underlie long-COVID symptoms, highlighting the need for continuous electrolyte monitoring and potential therapeutic interventions targeting ACE2-related pathways.

Nanotechnology-based drug delivery systems have gained increasing attention as effective strategies to enhance therapeutic efficiency while reducing systemic toxicity. In this study, β-elemonic acid was extracted from Boswellia carterii resin utilized High-performance liquid chromatography analysis and identified as a natural triterpenoid based on its structural characteristics. Sphingosomes nanoparticles were subsequently prepared using the methanol injection method. The prepared sphingosomes were characterized using Field Emission Scanning Electron Microscopy (FESEM) and Atomic Force Microscopy (AFM). FESEM analysis revealed spherical and uniformly distributed nanoparticles within the nanoscale range without noticeable aggregation. AFM results further confirmed the nanoscale dimensions, showing consistent particle height and diameter with low surface roughness. Fourier Transform Infrared Spectroscopy (FTIR) was employed to characterize β-elemonic acid, revealing distinct functional groups. After incorporation into the sphingosomes formulation, slight shifts in characteristic band were observed, indicating molecular interactions and successful encapsulation within the lipid matrix. These findings demonstrate the effective extraction, formulation, and physicochemical characterization of a lipid-based nanocarrier system with potential relevance for drug delivery applications.

Glucose-6-Phosphate dehydrogenase (G6PD) is an oxidoreductase enzyme that plays an active role in the protection of erythrocytes (red blood cells) from oxidative stress-induced hemolysis. The protection is provided by the vital role of G6PD being the first enzyme in the pentose phosphate pathway (PPP) which produces the reduced form of nicotinamide adenine dinucleotide phosphate (NADPH) that maintains reduction/oxidation balance within the cell. Deficiencies in this enzyme are one of the most common X-linked genetic disorders, G6PD deficiency, which is attributed to various genetic mutations in the coding gene G6PD. The severity of the enzyme deficiency correlates with the type and location of the mutation, and the disorder is inherited as a recessive trait that affects males more than females. Clinical manifestations of G6PD enzyme deficiency include a wide range of symptoms starting from sudden episodes of hemolytic anemia and neonatal jaundice to renal and hepatic failure which can be lethal. In this review, we provided insights into pathophysiology and the genetic basis of the disorder and highlighted with comparison the latest therapeutic strategies applied which included enzyme replacement therapy, small molecules therapy, gene therapy and stem cell transplantation. We concluded that this disorder, although somehow preventable by public awareness, can still be treated in a manner that maintains a near normal lifestyle to the affected individuals.

The current study examined the isolation and molecular characterization of Streptomyces spp from soil samples collected in Baghdad. Fifty soil samples were screened, yielding 41 isolates with distinct morphological and cultural characteristics. The isolates exhibited diverse aerial and substrate mycelia, pigment production, and spore chain morphologies. Genomic DNA was successfully extracted, and sequencing identified isolates as Streptomyces thinghirensis and Streptomyces linomycini. These findings confirm the prevalence of Streptomyces in local soils and highlight their potential as a source of bioactive compounds.