Analytical science advances最新文献

{"title":"A Dual Biomarker Approach to Stress: Hair and Salivary Cortisol Measurement in Students via LC-MS/MS","authors":"Muhammad K. Hakeem,&nbsp;Sundas Sallabi,&nbsp;Raghda Ahmed,&nbsp;Hana Hamdan,&nbsp;Amel Mameri,&nbsp;Mariam Alkaabi,&nbsp;Asmaa Alsereidi,&nbsp;Sampath K. Elangovan,&nbsp;Iltaf Shah","doi":"10.1002/ansa.70003","DOIUrl":"https://doi.org/10.1002/ansa.70003","url":null,"abstract":"<p>Stress is a significant issue among students, affecting both their mental and physical health. In this study, we investigated cortisol levels, a key biomarker for stress, in students at the United Arab Emirates University (UAEU) during their exam period. Using a sensitive liquid chromatography-tandem mass spectrometry (LC-MS/MS) methodology we measured cortisol concentrations in hair and saliva samples and explored the potential correlation between exam-induced stress and cortisol levels. The results revealed an increase in cortisol levels during the exam period, with male students showing an average hair cortisol concentration of 150.625 pg/mg and female students displaying an average of 77.756 pg/mg. Salivary cortisol levels ranged from 0.002 to 9.189 ng/mL, with an overall average of 4.505 ng/mL. Statistical analysis revealed significant differences in cortisol levels between male and female students, underscoring the impact of exam-related stress on both acute and chronic stress markers. This study underscores the importance of addressing academic stress and suggests targeted strategies to mitigate its impact on student health ultimately fostering an environment encouraging both academic success and psychological well-being within the student community. Future research directions include exploring additional clinical parameters and expanding the study population to further understand the long-term effects of academic stress.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"6 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.70003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143466176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring of Antidepressant Components and Mechanisms of Zhizichi Decoction: Integration of Serum Pharmacochemistry, Network Pharmacology and Anti-inflammatory Analysis Verification","authors":"Chuan Chai,&nbsp;Bo Jin,&nbsp;Jinghan Bi,&nbsp;Yuhan Cui,&nbsp;Xiaobing Cui,&nbsp;Chenxiao Shan,&nbsp;Sheng Yu,&nbsp;Hongmei Wen","doi":"10.1002/ansa.70002","DOIUrl":"https://doi.org/10.1002/ansa.70002","url":null,"abstract":"<p>Using LC–MS to screen and analyse the characteristics of components and biological systems is a new approach to study the pharmacological substance basis of traditional Chinese medicine, which has strong novelty in analytical science. This study analyses the antidepressant material basis of Zhizichi decoction through the integration strategy of serum pharmacochemistry, network pharmacology and immunoreactivity verification, which helps in overcoming the limitations of TCM research and provided a new perspective and approach for studying the components of ZZCD. First of all, blood from SD rats was collected before and after Zhizichi decoction administration initially. The migration constituents in the serum were then analysed using ultra-high performance liquid chromatography-Q-TOF-MS/MS. By integrating the TCMSP databases with the serum pharmacochemistry results, we constructed the ‘ingredients–targets–pathways’ network and the protein–protein interaction network for Zhizichi decoction's depression-relieving. Finally, the inhibitory effects of Zhizichi decoction and active ingredient groups comprised of pharmacodynamic components identified in prior network pharmacology study on IL-1β, IL-6 and TNF-α were measured through an inflammatory cytokines experiments. From the serum pharmacochemistry study, 146 migration constituents in serum and their attribution were hypothesized and characterized. They were identified as 18 prototype components and 128 metabolites, of which 121 were Phase I and 7 were Phase II metabolites. The Zhizichi decoction pharmacology network illustrated the relationships of the 20 definitive ingredients, 85 potential targets and 21 signalling pathways in connection with the depression. The targets predicted by pharmacology and protein–protein interaction network were reported to be associated with neuroinflammation, which suggested that further anti-inflammatory experiment was required. For the anti-inflammatory effect of AIGs 1 composed of 14 pharmacodynamic components was basically equivalent to that of whole ZZCD recipe, AIG 1 was hypothesized to be the critical pharmacodynamic components to inhibit inflammatory factors and defined as the antidepressant components’ of Zhizichi decoction, providing a scientific foundation for the pursuit of potential new drugs for depression treatments.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"6 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.70002","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143466175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cost-Effective Nanosensor Solutions for Ultra-Sensitive Detection of Metronidazole","authors":"Ahmad Mobed,&nbsp;Mohammad Darvishi,&nbsp;Vahid Alivirdiloo,&nbsp;Sara Ebrahimi,&nbsp;Mobasher Hajiabbasi,&nbsp;Farhood Ghazi,&nbsp;Hamidreza Hassanzadeh Khanmiri","doi":"10.1002/ansa.70000","DOIUrl":"https://doi.org/10.1002/ansa.70000","url":null,"abstract":"<p>Metronidazole (MNZ) is a widely used imidazole antibiotic effective against bacterial and protozoal infections, including giardiasis, trichomoniasis, bacterial vaginosis, and antibiotic-associated colitis. However, prolonged and excessive use of MNZ can lead to serious side effects, such as peripheral neuropathies, toxicity, and optic neuropathy. Therefore, the accurate detection and removal of MNZ present significant technical challenges. This manuscript introduces novel approaches for the development and integration of precise and cost-effective sensors specifically designed for the accurate measurement of MNZ levels. We explore cutting-edge nanotechnology strategies for detecting MNZ, with a particular focus on innovative nanobiosensors, including photodynamic-based biosensors, acousto dynamic sensors, and electrochemical biosensors. Additionally, we delve into the unique challenges and opportunities associated with multiphysics biometric biosensors and related nanotechnologies in the detection of MNZ. This review not only provides insights and scientific evidence regarding the application of nanobiosensors for the accurate measurement of MNZ but also highlights recent advancements in sensor technology that represent a significant leap forward in this field. By emphasizing these novel contributions, we aim to pave the way for future research and development in this critical area. Ultimately, our findings underscore the importance of reliable detection methods in mitigating the risks associated with MNZ use and improving patient safety.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"6 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.70000","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431109","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analytics for Grannies 003: Chromatography","authors":"Tal Luzzatto Knaan","doi":"10.1002/ansa.202400087","DOIUrl":"https://doi.org/10.1002/ansa.202400087","url":null,"abstract":"<p></p><p></p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"6 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202400087","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143113525","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development and Validation of a Gas Chromatography-Mass Spectrometry Method for the Determination of Fentanyl and Butyryl Fentanyl in Oral Fluid","authors":"Nicola Camedda,&nbsp;Sara Dagoli,&nbsp;Luca Anzillotti,&nbsp;Rossana Cecchi","doi":"10.1002/ansa.202400038","DOIUrl":"https://doi.org/10.1002/ansa.202400038","url":null,"abstract":"<p>Synthetic opioids are lab-synthesized substances that target the brain's opioid receptors, offering analgesic and sedative effects. Amongst them, fentanyl is one of the most widely used to intervene in chronic pain in moderate to severe cancer situations. Butyryl fentanyl (BF) is a novel synthetic opioid whose use is growing. Its potency is seven times that of morphine and, unlike fentanyl, BF can only be obtained through illegal sources. Fentanyl and its analogues are related to harmful intoxications and an increase in opioid-related mortality in many countries, such as in the United States and Europe in recent years. This work developed and validated an effective and sensitive method based on solid-phase extraction followed by gas chromatography-mass spectrometry (GC-MS) for the determination of fentanyl and BF in oral fluid samples. To the best of our knowledge, it is the first successful attempt to quantify these analytes using GC-MS with a limit of quantification (LOQ) of 1 ng/mL in OF. Intra-day and inter-day percentage coefficient of variation were found within 1%–3% and 1%–14%, respectively, while accuracy ranged from 92% to 102% at four concentration levels (lower LOQ [LLOQ], 3, 20, 40 ng/mL) in accordance with the established criteria. The absolute recovery values were in the range of 80.0%–100.0%. The method was linear for all analytes, with quadratic regression of calibration curves always higher than 0.99. The validated method demonstrated its great potential to detect and quantify fentanyl and its analogue in OF and it can be useful not only in forensic investigations of addiction histories but also in epidemiological studies on the spread of fentanyl and BF among workers and/or drivers.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"6 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202400038","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143118261","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Incremental Modification in the Existing Approaches for Affinity Chromatographic Enrichment of Phosphoproteins Improves Their Profile in Liquid Chromatography-Tandem Mass Spectrometry Analysis","authors":"Neha Agrawal,&nbsp;Rukmini Govekar","doi":"10.1002/ansa.202400058","DOIUrl":"https://doi.org/10.1002/ansa.202400058","url":null,"abstract":"<p>Cell signalling is a vital process in cell physiology, which is driven by protein phosphorylation. Global phosphoproteome analysis by liquid chromatography-tandem mass spectrometry (LC-MS/MS) has thus gained importance in cell signalling research. However, phosphoprotein identification by LC-MS/MS in whole cell lysates, which are complex protein mixtures, is hindered by their poor ionization coupled with suppression of peaks due to low abundance. Enrichment by immobilized metal ion- and metal oxide-affinity chromatography (IMAC and MOAC), which preferentially enrich multi- and mono-phosphorylated proteins, respectively, have improved their detection by MS. However, preferential enrichment limits phosphoproteome coverage in global analyses of cell lysates which contain mono- and multi-phosphorylated proteins. Improvement in their coverage by sequential elution approach that exploits the complementary chemistries of these matrices has been reported. In this study, we observed that the number of phosphoproteins detected using the sequential elution approach was lower (∼250–400) as compared to the theoretically predicted number (&gt;500) based on their reported 30% abundance in the cell proteome (1700–2200 proteins detected by MS in our cell lines). Acknowledging the merit of using multiple matrices, we used IMAC and MOAC individually and pooled the data. We observed a remarkable increase (&gt;30%) in phosphoproteome coverage. Further, though 98% of phosphoproteins were enriched by IMAC, among the remaining 2%, those detected exclusively by MOAC were biologically important. This justified the use of multiple matrices. Thus, an incremental modification of using multiple matrices individually rather than sequentially and pooling the data markedly improved the phosphoproteome coverage, which can positively impact cell signalling research.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"6 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.202400058","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143117416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sorbent-Based Sampling With Two-Stage Trapping/Desorption Coupled to Comprehensive Two-Dimensional Gas Chromatography and Mass Spectrometry for Terpenoids Profiling in Cannabis","authors":"Marco De Poli,&nbsp;Tatiana Chenet,&nbsp;Simona Felletti,&nbsp;Damiana Spadafora,&nbsp;Alberto Cavazzini,&nbsp;Flavio A. Franchina","doi":"10.1002/ansa.202400044","DOIUrl":"10.1002/ansa.202400044","url":null,"abstract":"<p>Cannabis inflorescences represent an important source of many high-value bioactive specialized metabolites, among which the family of terpenes or terpenoids that are the largest classes of natural products known. Besides their biological activities either alone or synergistic with other terpenoids and/or cannabinoids, they are responsible for their distinctive flavour. In this study, we exploited the separation power and identification capabilities of comprehensive two-dimensional gas chromatography coupled to mass spectrometry (GC×GC-MS) for the profiling of terpenes and terpenoids in cannabis inflorescences. The dynamic headspace (DHS) used herein for the extraction was chosen for its sensitivity, portability, suitability, as well as its versatility of sampling various natural products, including plant raw materials and different plant parts. The enrichment method and the following desorption into the GC were developed and optimized on both standards and real samples considering different sorbent traps (i.e. Tenax-TA, Carbotrap T420, Carbotrap 202), and evaluating key performance values. Analyte coverage, recovery and response reproducibility were used for the evaluation of the best performing thermal desorption tube. Considering terpenoids profiling on cannabis inflorescences, satisfactory extraction performance was observed with both Tenax-TA and Carbotrap T420. However, Tenax-TA provided a wider analyte coverage beyond the class of terpenoids, thus can be better suited for non-targeted analysis. On the other hand, peak width, peak height, peak quality and resolution were considered for the optimization of the chromatographic process, and more specifically the injection process, demonstrating the benefit of a secondary trapping/desorption stage with a cryotrap. Finally, considering the final DHSE-TD-GC×GC-MS conditions, terpenes and terpenoids were profiled in real-world cannabis inflorescences, highlighting the differences among the chemovars.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"6 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11702380/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142960123","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Combining Thermogravimetry-Mass Spectrometry and Target Factor Analysis for Rapid Characterization of Volatiles from Degradation of Epoxy Paint","authors":"Subhamoy Saha,&nbsp;Ajit N. Shirsat,&nbsp;V. S. Tripathi,&nbsp;Salil Varma,&nbsp;Mathi Pandiyathuray","doi":"10.1002/ansa.202400047","DOIUrl":"10.1002/ansa.202400047","url":null,"abstract":"<p>Thermogravimetry coupled with simultaneous evolved gas analysis by mass spectrometry was used for discerning organic compounds released during the thermal degradation of paint whose chemical compositions are not readily accessible. Thermogravimetric analyses up to 600°C revealed distinct degradation patterns under inert and oxidative conditions. Significant degradation of paint initiates at around 360°C and concludes at 500°C in a nitrogen atmosphere. However, under oxidative conditions, degradation began at 100°C, with notable mass loss extending from 300 to 600°C, with a distinct event at 500°C. Moreover, the overall mass loss in air has been observed to be 3% higher than that in nitrogen. The rapid characterization of the volatiles was made possible by model-free target factor analyses of evolved gas mass spectra. The temperature-correlated mass analyses revealed potential volatile sources, including structural breakdown and oxidative conversion. Comparative analyses revealed predominantly oxidative conversion of organics to CO₂ during degradation in air. The evolution of several classes of organics during the thermal degradation of paint is a matter of great concern for postulated accident scenarios in nuclear power plants. The low molecular weight organic volatiles may be taken up by iodine aerosols released into the containment during an accident, potentially forming organic iodides, which are biological hazards. Thus, identifying these volatile organics is crucial for accurately estimating the source term of volatile organic iodine.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"6 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11702457/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142960119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comparative Seasonal Trends and Potential Health Impacts of Arsenic and Chromium in Surface Water after Adsorption Using Highly Dispersed Fe3O4 Nanoparticles","authors":"Tshimangadzo S. Munonde,&nbsp;Shirley K. Selahle","doi":"10.1002/ansa.202400045","DOIUrl":"10.1002/ansa.202400045","url":null,"abstract":"<p>Surface water from springs, rivers, and dams is often used as an unconventional drinking water source in rural areas where potable water is often unavailable. However, this practice carries significant health risks due to potential contaminants. In this study, the concentrations of arsenic (As) and chromium (Cr) were assessed seasonally using graphite furnace atomic absorption spectrometry (GFAAS). Highly dispersed Fe₃O₄ nanoparticles were synthesized, characterized, and utilized as adsorbents to remove As and Cr ions from various water matrices. The removal process was optimized by adjusting the mass of the nanoparticles, pH levels, and sonication time. To further understand the adsorption process, adsorption isotherms and kinetics were conducted. Physicochemical properties such as pH, electrical conductivity, and total dissolved solids were seasonally evaluated. The average As concentrations were in the range of 13.3–46.8 µg/L, while Cr was in the range of 1.02–5.04 µg/L. Expectedly, higher concentrations of As and Cr were observed in summer when there was intense precipitation, and the lowest concentrations were observed in winter, with little to no precipitation. The calibrated GFAAS displayed an excellent limit of detection, limit of quantification, and linearity of 0.092–0.13, 0.27–0.34, and 0.27–70 µg/L for As, while 0.031–0.07, 0.16–0.21, and 0.16–70 µg/L were attained for Cr, respectively. Arsenic levels exceeded 10 µg/L in all seasons, indicating that these concentrations were above the maximum permitted levels set by the World Health Organization and the South African National Standards. According to the health risk assessment, high As concentrations were alarming, as they were seasonally increasing, with the chronic daily intake exceeding the oral reference dose, whilst the incremental lifetime cancer risk was significantly high.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 11-12","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11627184/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142808787","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Prodigiosin Demonstrates Promising Antiviral Activity Against Dengue Virus and Zika Virus in In-silico Study","authors":"Tanjilur Rahman,&nbsp;Mohammed Sajjad Hossain Bappi,&nbsp;Tanim Jabid Hossain","doi":"10.1002/ansa.202400039","DOIUrl":"10.1002/ansa.202400039","url":null,"abstract":"<p>Dengue (DENV) and Zika virus (ZIKV), transmitted by Aedes mosquitoes, pose significant public health challenges. Effective treatments for these viruses remain elusive, highlighting the urgent need for new efficient antiviral therapies. This study explores prodigiosin, a microbial tripyrrole pigment, as an antiviral agent against both DENV and ZIKV employing advanced analytical approaches which integrate molecular docking, CASTp 3.0 validation and molecular dynamics (MD) simulations providing insights into molecular interactions at an atomic level. Prodigiosin exhibited favourable drug-likeness properties, meeting Lipinski's rule of five and demonstrating optimal physicochemical and pharmacokinetic characteristics according to Ghose's, Veber's, Egan's and Muegge's filters, essential for oral bioavailability. Absorption, Distribution, Metabolism, Excretion, and Toxicity profiling indicated high intestinal absorption, minimal risk for drug-drug interactions and a low toxicity profile, with no AMES toxicity, hepatotoxicity, or skin sensitization. Molecular docking revealed prodigiosin's strong binding affinities to NS5 methyltransferases of both DENV (−7.6 kcal/mol) and ZIKV (−7.7 kcal/mol) viruses, suggesting potential disruption of viral replication. Notably, prodigiosin's binding affinities were comparable to ribavirin-5'-triphosphate and chloroquine, known inhibitors of DENV and ZIKV, respectively. MD simulations confirmed stable and specific interactions with prodigiosin with low root-mean-square deviation values. Additional analyses, including root-mean-square fluctuation, radius of gyration and solvent-accessible surface area, indicated compact and stable complexes. These multi-parametric in-silico analytical strategies provide a novel perspective of prodigiosin as an antiviral agent, demonstrating its drug interactions at the molecular level. These promising results suggest that prodigiosin could serve as a broad-spectrum antiviral agent against both DENV and ZIKV, warranting further experimental validation for therapeutic development against flaviviral infections.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"5 11-12","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11627182/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142808720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}