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2026

Integrated Bioinformatics and Machine Learning Analysis Identifies MT1F as a Potential Diagnostic Biomarker and Therapeutic Target in Breast Cancer

Tahmid Islam Akib, Ibrahim Hossain Molla, Nafees Rishad, Labib Rahman, Nishad Al Hasan, Sidratul Muntaha Tasmi, Md Mahfujar Rahman Shakil, Ariful Islam (Author) · June 7, 2026

Breast cancer (BRCA) is a heterogeneous tumour and is the most common cancer in the world, and there is a need for strong biomarkers to enhance diagnosis and targeted therapy. We created a combined bioinformatics and machine learning approach for identifying important molecular biomarkers related to BRCA in this study. Two gene expression datasets were analyzed and 2,386 commonly dysregulated genes were identified. Enrichment analysis of functions indicated that extracellular matrix organization and immune related pathways were significantly involved. Protein protein interaction (PPI) network analysis revealed that MT1F and CCNA2 were hub genes in the network, and MT1F was consistently ranked among the most central genes by various topological and machine learning techniques. The machine learning models (Random Forest, Gradient Boosting, and XGBoost) showed high diagnostic performance, with the Random Forest model having the highest discriminative ability (AUC = 0.990). It was found that MT1F was significantly upregulated in many different malignancies by pan-cancer analysis and was epigenetically regulated by DNA methylation analysis. Immune infiltration analysis also showed significant correlations between the expression of MT1F and immune cell populations. The drug sensitivity analysis (DSA) with GSCA datasets showed that MT1F expression was significantly correlated with sensitivity to several anti cancer drugs, suggesting its role as a potential predictive biomarker. To conclude, MT1F might be a diagnostic biomarker and therapeutic target for breast cancer. This study highlights the value of integrative computational methods in the discovery of biomarkers and precision oncology.

Integrating Artificial Intelligence and Advanced Microscopy in Life Sciences: Emerging Applications, Challenges, and Future Directions

Eisha, Hamza Rafeeq, Yasir Mehmood, Khalil ur Rehman, Syeda Momena Rizvi, Majid Ali, Anum Shahzadi, Nadia Afsheen, Zara Jabeen (Author) · May 23, 2026

The combination of artificial intelligence (AI) and advanced microscopy is radically changing the research in life sciences. Machine learning and deep learning can deliver unparalleled image-processing tasks, such as automated classification, super-resolution reconstruction, and real-time counts of biological structures. This synergy promotes the discovery process in crucial fields like drug discovery, systems biology and clinical diagnostics by increasing the speed, accuracy and reproducibility of data analysis. This review is a synthesis of the present state of this integration, critical analysis of its transformative capacity and ongoing issues. The most important developments are mentioned, including the automated phenotyping and predictive modeling, to the AI-enhanced super-resolution imaging, and its effect on precision medicine and high-throughput screening. Nonetheless, there are still considerable challenges, such as the problem of data standardization, model interpretability, and incorporating multimodal imaging data. The future direction of the field is described, including the new solutions, which are explainable AI (XAI), federated learning as a privacy-preserving collaboration, and integrated bioinformatics pipelines. AI-powered microscopy is a paradigm shift, a new way to view and ask questions of microscopic images, bridging microscopic visualization to computational intelligence

Phytochemical Profiling, Antioxidant Activity, and Antimicrobial Potential of Curcuma aromatica Rhizomes from Central India

Deepika Namdev, Tarun Kumar Thakur, Anirudh Kumar, Subha Narayan Das, Anita Thakur (Author) · April 4, 2026

Curcuma aromatica Salisb. (Zingiberaceae) is a medicinal plant native to the forests of Amarkantak, Central India. The present study aims to investigate the polyphenol content, as well as the antimicrobial and antioxidant properties of Curcuma aromatica Rhizomes. The qualitative analysis revealed the presence of pharmaceutically important phytochemicals such as tannins, flavonoids, phenols, quinones, terpenoids, coumarins, steroids, cardiac glycosides, phlobatannins, and alkaloids in both methanol (ME) and aqueous extracts (AE) which may contribute to their observed pharmacological properties. However, saponins were absent in the ME but present in the AE. Similarly, anthraquinones were detected only in the ME, whereas glycosides were absent in both ME and AE. Quantitative assessment of total phenols and flavonoids showed significantly higher content in ME. The in vitro antioxidant activity was assessed using total antioxidant activity (TAA), DPPH, and ABTS assays, revealing markedly higher activity in the ME. It showed significantly greater TAA (39.70 ± 0.13 mg AAE g⁻¹ dw; p < 0.0001), strong DPPH scavenging (66.01% at 220 µg/mL), and lower IC₅₀ values for DPPH and ABTS. Further, FTIR examination of ME identified functional groups such as OH, CH, C=C, N-O, C-O, and C-F, indicating the presence of distinct metabolites. The GC–MS analysis confirmed the presence of 48 volatile metabolites in the ME, with the predominant compounds being tumerone, curlone (β-turmerone), hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl) ethyl ester, (E)-atlantone, and benzene, (1,1,4,6,6-pentamethylheptyl). The antimicrobial activity of the ME was evaluated using the agar well diffusion method, wherein strong antibacterial effects against X. oryzae (21.33 ± 0.57 mm at 15 mg/mL), B. cereus (16.33 ± 0.57 mm), and Microbacterium sp. (12 ± 0 mm) were noted. However, only partial activity against Alternaria alternata and Fusarium oxysporum were observed, while the AE showed no activity. The rhizomes of Curcuma aromatica contain a variety of bioactive compounds that show notable antioxidant and antimicrobial properties. However, detailed studies focusing on the isolation and characterization of these active constituents are necessary to confirm and better understand their biological effects

Computer-assisted Assessment of Bioactive Compounds from Endophytic Fungi Against Type III Transcription Regulator (HrpR) of Pseudomonas synringae pv

Mohammed M. Alshehri, Lateefat Ayomide Shuaib, Mariam Omowunmi Daud, Haruna Isiyaku Umar, Hariram Singh, Maryam Ganiyu (Author) · March 5, 2026

Pseudomonas syringae pv. tomato (Pst) is a well-studied bacterial pathogen affecting tomato crops globally, leading to significant yield and economic losses. Typical control measures, including copper-based bactericides, face increasing limitations due to the emergence of resistant strains. In order curb this challenges, In silico analysis were employed to evaluate secondary metabolites from endophytic fungi as potential inhibitors of the HrpR protein, a key regulator of the Type III secretion system in Pst. A total of 100 fungal-derived compounds were screened using molecular docking, ADMET profiling, and molecular dynamics (MD) simulations. Six major hits with strong binding affinities were identified, with Asperthrins A emerging as the most promising lead. Asperthrins A exhibited best pharmacokinetic properties, including low toxicity (LD₅₀ = 3.04), low hERG and DILI. MD simulations confirmed its stable binding and structural compactness within the HrpR active site over a 200 ns trajectory. Compared to other candidates such as Kadhenrischinins F and Diaporthichalasins E, Asperthrins A consistently outperformed in key pharmacological metrics. These findings underscore the value of endophytic fungi as sources of bioactive compounds and demonstrate the power of structure-based drug discovery in identifying environmentally safe, plant-compatible antimicrobial agents. This study provides a foundational step toward developing bio-rational alternatives to synthetic bactericides, supporting sustainable plant health management.

Evaluation of Nutritional Profile, Phytochemical Content, and Antioxidant Potential of Finger Millet Landraces from the Tribal Belt of Chhattisgarh, India

Madan Mohan, Malathi V.M, Venkateswarlu R, Aadil Mansoori, Subha Narayan Das, Anirudh Kumar (Author) · January 28, 2026

With global food demand rising and dietary deficiencies widespread, nutrient-dense, climate-resilient crops such as finger millet offer promising alternatives to conventional staples. This study investigates the nutritional composition, phytochemical constituents, and antioxidant potential of 8 finger millet [Eleusine coracana (L.) Gaertn.] landraces cultivated in the tribal regions of Chhattisgarh, India. Our analysis revealed that the landrace F4 possessed the highest amount of protein (10.13 ± 0.12%) and dietary fibre (14.88 ± 0.61%) with low carbohydrate content (56.77 ± 0.86%) in comparison to other landraces. Similarly, calcium content (1477.73 ± 0.37 mg/kg) was found to be higher in F5, whereas the highest iron content (121.38 ± 0.23 mg/kg) was recorded in F7. High levels of phenolics (26.03 ± 0.19 mg GAE/g dw) and flavonoids (35.39 ± 0.76 mg QE/g dw) were observed in F2 landrace, underscoring the potent nutraceutical attributes of this traditional variety. Furthermore, the antioxidant potency was evaluated using DPPH and ABTS radical scavenging assays, with the lowest IC₅₀ values recorded for F2 landrace. The findings highlight the potential of indigenous finger millet landraces to not only combat nutrient deficiencies but also support metabolic health through their antioxidant and functional properties. This also underscores the importance of promoting and conserving traditional millet varieties to enhance nutrition and food security, particularly in underserved tribal communities

2025

Molecular Profiling of Multidrug-Resistant Escherichia coli Harboring tetA and eaeV3 Genes in Poultry Production System

Hosen Md. Aoulad, Mahe Afroz, Nazmi Ara Rumi, Md. Aoulad Hosen, Md. Shajedur Rahman , Most. Deloara Begum, Md. Shiblee Sadik Sabuj , Nasrin Sultana Tonu, Md. Hasanul Baker Tamlikha (Author) · December 30, 2025

Escherichia coli, a common gastrointestinal pathogen in warm-blooded animals, poses a significant challenge topoultry health. This study investigated the prevalence, serogroup distribution, and molecular characteristics of multidrug-resistant (MDR) E. coli in dead chickens from Dinajpur, Bangladesh. A total of 131 organ samples (intestine, liver, heart, lungs, oviduct) were analyzed using cultural, biochemical (Indole, MR-VP, TSI, citrate), and molecular (PCR) methods. E. coli was detected in 41.22% (n=54)of samples, with the highest prevalence in intestines (90%) from Basherhat (p=0.021). Molecular identification of the isolates was confirmed by 16S rRNA gene sequencing (585 bp). The resistance genes TetA and EAEV3 were detected in 29.6% and 14.8% of isolates, respectively. Serogroup D was the most prevalent (61.11%). All E. coli showing 100% resistance to several classes, including penicillins, cephalosporins, macrolides, and tetracyclines. In contrast, they remained 100% susceptible to fluoroquinolones (ciprofloxacin, norfloxacin) and aminoglycosides (gentamicin, streptomycin). Among the isolates, 34 (68.51%) were classified as MDR. The findings underscore the escalating threat of antimicrobial resistance (AMR), which poses significant challenges to poultry health management. The results also raise public health concerns due to the potential transmission of resistant E. coli through the consumption of contaminated poultry products. Therefore, implementing measures such as restricting antibiotic misuse, strengthening surveillance, and improving farm biosecurity is critical to combat the AMR crisis in this poultry sector.

Computational Investigation of Triphenylmethane Acidic Dye for Textile Applications Using DFT and TDDFT Methods

Majid Ali, Muhammad Suleman, Sidra Ghafoor, Shagufta Nawaz, Hafsa Amjad , Hamid Mehmood, Muqadas Majeed, Nooria Fatima, Zunaira Rahat Gill , Unsa Maqbool, Saira Najam (Author) · December 4, 2025

A comprehensive computational investigation of a triphenylmethane-acidic dye using Density Functional Theory (DFT) and Time-Dependent DFT (TDDFT) at the B3LYP/6-31G(d) level was conducted. The basic goal was to interpret the properties, i.e., structural, electronic, and spectroscopic properties in several media (gaseous, aqueous, and acetic acid) and to evaluate the suitability for textile applications. The geometric optimization of the acidic dye under observation undergoes solvent induced changes, with the contraction of bond length (e.g., C1–C2 shortened from 1.4039 Å in gas to 1.3872 Å in water) and the angular variation of bonds (e.g., C2–C1–C6 decreased from 120.67° to 120.59° in ethanol), depicting the high conformational stability in polar solvents. The TD-DFT simulations showed a bathochromic shift and a high molar absorptivity (λmax ~245 nm, absorbance ~3200), indicating UV absorption in aqueous environments. The oscillator strength of strong π→π* electronic transitions in the 240–250 nm range further confirms the conjugated system's ability to interact effectively with light, an essential characteristic for dye brilliance and intensity on textile substrates. HOMO–LUMO analysis showed a solvent-dependent narrowing of the energy gap (ΔE), from 3.82 eV in the gas phase to slightly reduced values in ethanol and water, facilitating intramolecular charge transfer and favorable dye–fiber interactions. Mulliken population analysis and molecular electrostatic potential (MEP) mapping highlighted nucleophilic and electrophilic regions, consistent with expected binding behavior to textile fibers in solvents. IR vibrational analysis confirmed structural consistency across 700–3500 cm⁻¹ in interaction with solvents. These findings show that solvent polarity significantly affects the dye's electronic structure and spectroscopic response, providing critical insights for its application in water-based or ethanol-assisted textile processing. The study affirms the value of DFT/TDDFT modeling for pre-screening dye candidates, enabling more efficient, cost-effective, and targeted dye design for optimal textile performance.

Nano-Chitosan and Nanomedicine Approaches Against Pathogenic Coronaviruses

Ishrat Perveen, Wajid Hussain , Muhammad Jalil Khalid, Sumbal Nazir, Amna Mumtaz, Yasar Saleem, Saba Sabahat, Mehwish Najeeb, Sajid Hameed, Tallat Anwar Faridi, Jawad Hussain, Shenqi Wang (Author) · October 31, 2025

Human coronaviruses (HCoVs), composed of the viruses causing severe acute respiratory illness described as the syndromes resulting from infection with respiratory coronaviruses (e.g., human immunodeficiency viruses (HIVs), whose incubation period averages 7 to 15 days and 1 to 6 months, respectively) and the newly emerged ones (e.g., human respiratory herpesvirus 6). The spread of new variants over a short period of time requires urgent and effective therapeutic strategies..This review discusses the potential of nano-chitosan biopolymeric nanoparticles as a promising therapy for combating SARS-CoV-2 and related viruses. The study examined the structural features, genome organization, and pathogenesis of the viral strains causing the current pandemic-SARS-CoV, MERS-CoV, and most recently, the viruses responsible for the current "coronavirus" syndication, namely, the newly discovered coronavirus - known as the "SAR-corona subgroup, viral genome organization, pathogenesis, and host/virus away within the SAR Coronavirus family. The role of nano-chitosan as an anti-viral agent and as a drug delivery enhancer for improved-drug bioavailability and targeted therapy is also reviewed in the context. Nano-chitosan shows a strong antiviral effect on HCoVs via enhancing drug solubility and bioavailability. Its capacity as a carrier able to transport antiviral agents, and in vaccine delivery, diagnostics, as well as in the field of therapeutic applications, is an important advance in nanomedicine. Nano-chitosan is a potential candidate for the future pandemic of coronavirus. The incorporation of nano-chitosan into therapeutic approaches may improve existing therapies as well as contribute to more effective control of viral outbreaks. Future

Lifestyle Cost-Effective Strategies for Tamsulosin HCl Extended-Release Tablets Using Polymer Mixtures for Solubility Improvement

Kashif Barkat, Umair IKram Dar, Anaum Asghar, Hira Shahid, Nariman Shahid, Rabia Arshad, Zeeshan Akbar, Shamsha Kanwal, Hamza Rafeeq, Haroon Yousaf (Author) · September 27, 2025

The present research was designed to investigate the extraction, purification, and characterization of cashew gum, as well as its combination with HPMC and xanthan gum, in pharmaceutical applications. In this research, we prepared ten formulations by varying the quantity of cashew gum. The cashew gum recovery rate from the purifying procedure was 72.26%. The viscosity, swelling index, particle size distribution, and bulk density of cashew gum were determined, along with several physical, rheological, and flow characteristics that were examined. The use of these gums, along with HPMC and xanthan gum, in the production of Tamsulosin HCl matrix tablets was also investigated in this study. To assess the tablets' performance, quality control tests were carried out, including weight uniformity, friability, crushing strength, swelling index, and dissolution investigations. According to regulatory requirements, some formulations produced sustained drug release over 24 hours, as shown by the release kinetics and drug dissolution profiles. To evaluate the reliability and compatibility of the excipients, characterization methods including X-ray diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and Fourier transform infrared spectroscopy (FTIR) were used. FTIR spectra show different peaks of functional groups. Scanning Electron Microscopy analysis shows that the tablet surface was porous. The results show that cashew gum is a good substitute for a pharmaceutical excipient that might be used in formulations for controlled drug release

Lifestyle Medication to Manage Type 2 Diabetes and Its Impact on Biochemical Parameters

Shakila Sabir, Khalil-ur Reman , Hamza Rafeeq, Nadia Afsheen , Zara Jabeen , Shamsa Kanwal, Areej Fatima, Farina Jamil , Muhammad Ejaz-ul-Haq (Author) · August 19, 2025

Insulin resistance and high blood sugar are hallmarks of type 2 diabetes mellitus, a common chronic illness that has a substantial influence on world health. In order to avoid problems like cardiovascular disease and neuropathy, effective care is essential. Pharmacological therapies are frequently used in traditional diabetes treatment. However, lifestyle improvements, including dietary adjustments, exercise, and stress reduction, have become essential elements of diabetic care. In order to improve glycemic control in individuals with type 2 diabetes, this study compares the efficacy of lifestyle medicine and standard therapy. In Punjab, Pakistan, a randomized controlled trial (RCT) was carried out in the cities of Kahuta and Faisalabad. One hundred volunteers, all between the ages of 35 and 50, who had been diagnosed as having type 2 diabetes and had HbA1c levels ≥6.5%, participated in the study. Participants were randomized to either Group B, which received normal medical care, or Group A, which received lifestyle interventions. Dietary changes, exercise routines, stress management strategies, and adherence counseling were the main focuses of the lifestyle intervention. To improve glycemic control, the seeds of chia and melon, especially bitter melon, were important dietary components. SPSS version 26 was used to analyze the data. Both groups showed significant improvements, according to within-group analysis (p-value 0.05). The study concluded that intensive lifestyle changes can lead to meaningful improvements in metabolic health outcomes for individuals with type 2 diabetes, aligning with broader research advocating for such approaches as foundational components of diabetes care strategies

Study of Photo-catalytic Degradation of Disperse B-SE2R with UV/H2O2/TiO2 and Solar Light

Aneela Jamil, Yasir Mehmood, Majid Ali, Hamza Rafeeq, Muhammad Ibtihaj Jamil (Author) · June 27, 2025

Currently, the presence of dyes in sewage, drinking, and surface water is a serious concern. To remove dye toxicity from the water reservoirs, substantial efforts were made. Among different procedures, the Advanced Oxidation Process (AOPs) is a highly recommended process for degrading disperse dyes due to its accuracy. Due to the greater efficiency of AOPs, solar light and UV/H2O2/TiO2-based advanced oxidation processes were utilized to degrade the disperse dye blue SE2R (DB-SE2R). The impact of various factors, such as pH effect, H2O2 dosage concentration, and dye concentration, on dye degradation was investigated. A 94% degradation was achieved by the ultraviolet/hydrogen peroxide/TiO2 method, which involves breaking down the disperse dye blue SE2R molecule into less harmful components or eliminating its toxicity from water or wastewater to the maximum extent. A 62% degradation efficacy was optimized after solar light irradiation with the TiO2 photocatalyst. The optimal conditions for maximum degradation of DB-SE2R were 0.9 mL H2O2 at pH 3, achieved in 60 minutes. The assurance of results was achieved through improvements in toxicological tests (Hemolysis and Mutagenicity evaluation) and water quality parameters, including dissolved oxygen, chemical oxygen demand, and biological oxygen demand. After treatment with solar light and ultraviolet radiation, the intermediates and end products were investigated. All the major peaks disappeared after Fourier Transform Infrared Spectroscopy (FT-IR) analysis, except for some minor peaks. From the results, it was found that UV/H2O2/TiO2 is an efficient method for degrading the DB-SE2R

Development and Validation of RP-HPLC Method for Quantification of Clindamycin Phosphate and Tretinoin Drug-Loaded Microgel

Yasir Mehmood, Muhammad Ibrahim, Hafiz Muhammad Bilal Khalid, Muhammad Muaz ul Islam, Maida Minahil Mushtaq (Author) · May 31, 2025

The current study aimed to develop and validate a reverse-phase high-performance liquid chromatographic (RP-HPLC) method that is quick, easy, and sensitive for the simultaneous measurement of tretinoin and clindamycin phosphate in lipid-based semisolid pharmaceutical formulations, particularly microgel. Due to the difficulties involved in co-analysing a hydrophilic and a lipophilic drug inside the same matrix, a strong analytical technique was necessary for precise and repeatable quantification. Chromatographic separation was accomplished using a Phenomenex C-18 column (150 mm × 4.6 mm, 5 µm) and an isocratic mobile phase consisting of 0.01 N phosphate buffer and acetonitrile (20:80, v/v) at a flow rate of 1.0 mL/min. Clindamycin phosphate and tretinoin were detected at wavelengths of 210 and 353 nm, respectively. Standard calibration curves were created across a concentration range of 2–50 µg/mL for both analytes. The limits of detection (LOD) and quantification (LOQ) for clindamycin phosphate and tretinoin were 6.78 µg/mL and 20.56 µg/mL, respectively, and 0.14 µg/mL and 0.42 µg/mL, demonstrating the method's good linearity (R² = 0.99). With %RSD values constantly below 2%, recovery trials at three concentration levels (70%, 100%, and 120%) showed mean accuracy ranging from 98.18% to 102.93% for clindamycin phosphate and 116.80% to 123.36% for tretinoin. These results validated the accuracy, precision, and repeatability of the approach. This method effectively verified the entrapment efficiency of the drug-loaded microgel, meeting ICH requirements, and is suitable for regular quality control of combination formulations containing tretinoin and clindamycin.

Molecular Characterization and Antimicrobial Resistance Profile of Biofilm-Producing Methicillin-Resistant Staphylococcus aureus (MRSA) in Caprine Mastitis

Pranta Sarkar, Nazmi Ara Rumi, Mir Rowshan Akter, Md. Aoulad Hosen, Likhon Kumar Shil, Nirban Kumar Das, Eliza Hassan, Md. Abu-Hena Mostafa, Zakaria Ahmed Sany, Hayate Mrich, Bamigboye Ramon Abiodun (Author) · April 30, 2025

The global rise of methicillin-resistant Staphylococcus aureus (MRSA) poses a significant threat to both human and animal health. This study aimed to detect MRSA in goat mastitis cases, identify resistance-associated genes, and assess biofilm-forming virulence. A total of 46 milk samples were collected from clinically mastitis-affected Black Bengal goats in Dinajpur Sadar and Chirirbandar. Conventional biochemical and cultural methods, along with PCR, were used for bacterial identification. The mecA gene, conferring methicillin resistance, and the nuc gene, a species-specific marker, were amplified via PCR. Statistical analysis was conducted using SPSS v25 and R v2024. The results showed an 82.6% prevalence of S. aureus, with MRSA identified in 13.16% (5/38) of isolates. Antibiotic susceptibility testing revealed 100% resistance to methicillin, oxacillin, vancomycin, and cefoxitin, followed by 85.71% resistance to ampicillin. The presence of biofilm-forming MRSA highlights its role in persistent infections and therapeutic failures. These findings underscore the need for effective, evidence-based control strategies to mitigate the spread of MRSA in livestock and safeguard public health.

Evaluation of anti-inflammatory and anti-arthritic activities of Benzimidazole derivative 2-((1H-benzo[d]imiadazol-2-yl) thio)-1-3, 5-diphenyl-1h-pyrazol-1-yl) ethanone

Aisha Mobashar, Komal najam, Zeeshan Akbar, Kashif Barkat, Khalid Hussain, Humaira Nadeem , Hafiz Aamir Ali Kharl , Muftia Arubah Basri (Author) · March 19, 2025

This study investigates the anti-inflammatory and immunomodulatory effects of a Benzimidazole derivative 2-((1H-benzo[d]imiadazol-2-yl) thio)-1-3, 5-diphenyl-1h-pyrazol-1-yl)ethanone (BZ), in both chronic and acute inflammation models. For induction of arthritis, Freund’s Complete Adjuvant was used. After inducing arthritis in rats, three different doses of benzimidazole derivative (25,50 and 100 mg/kg) were given. The treatment started on the 7th day and continued for 3 weeks. Piroxicam was used as the standard drug. On the last day of treatment, the rats were sacrificed. Paw edema and arthritis were determined using digital water plethysmometry and arthritic score index. Various hematological parameters, including red blood cells (RBC), white blood cells (WBC) and hemoglobin (Hb), along with biochemical markers such as aspartate aminotransferase (AST), alanine aminotransferase (ALT), urea and creatinine were also evaluated. The mRNA levels of IL-6 and TNF-α were determined using a quantitative polymerase chain reaction (qPCR). Prostaglandin E2 (PGE2) levels were measured via ELISA. Carrageenan induced paw edema was employed for determining anti-inflammatory activity. Treatment with different doses of Benzimidazole derivative decreased paw edema and decreased arthritic progression. All histopathological parameters were concluded to be decreased after the given treatment. The analysis of qPCR showed decreased levels of Tumour necrosis factor (TNF-α) and Interleukin-6 (IL-6). Enzyme-linked immunosorbent assay (ELISA) demonstrated a decreased level of PGE2 in all groups that were treated with the benzimidazole derivative. Results obtained from all groups treated with the benzimidazole derivative were significantly comparable to those of piroxicam. Treatment groups restored RBC and Hb levels. The Benzimidazole derivative exhibited significant anti-inflammatory and immunomodulatory effects by reducing paw edema, arthritic progression, and inflammatory markers (TNF-α, IL-6, and PGE2), demonstrating potential as a therapeutic agent for inflammatory conditions.

Exploration of Rosmarinic Acid as Anti-Esophageal Cancer Potential by use of Network Pharmacology and Molecular Docking Approaches

Amjad I Oraibi, Sercan Karav, Farid Khallouki (Author) · February 27, 2025

Esophageal cancer (EC) is a cancer with high lethality and poor prognosis, and it was responsible for the death of 0.54 million people in 2020. Its treatment is often challenged by the side effects of the drugs used and the development of resistance mechanisms by EC cells. In this study, the potential of rosmarinic acid (RA) to serve as a therapeutic regimen for the treatment of EC was evaluated using network pharmacology approach. Firstly, the putative targets of RA were identified using small molecule target prediction platforms, while the genes commonly dysregulated in EC were identified by microarray data analysis. Subsequently, common targets were identified and their interaction network was delineated using the STRING database, while the core targets of the network were identified using the CytoHubba plug-in of Cystoscope. Further analysis conducted included the gene ontology, pathways enrichment analysis, and molecular docking of RA with the core targets. The results of the study revealed that CDK2, CHEK1, ERBB2, GSK3β, HSP90AA1, MMP9, NFKβ1, and STAT1 to be the core targets via which RA might exhibit its anti-EC potential, and the molecular function mediated by these core targets include ATP binding and protein kinase activity. Critical pathways such as the interleukin-17 and PI3K-Akt signaling pathways which are commonly dysregulated in EC were also identified as the pathways RA may restore. Molecular docking simulation also revealed RA possess high binding affinities for the core targets. Ultimately, further confirmation of the anti-EC activity of RA should be conducted in experimental studies.