Kuwait Journal of Science最新文献

{"title":"Multifunctional properties of Thai vegetable extracts: Inhibition of foodborne pathogens, anti-inflammatory activity, and anti-apoptotic effects","authors":"Adisak Palasap ,&nbsp;Patcharee Boonsiri ,&nbsp;Nisachon Jangpromma ,&nbsp;Sakda Daduang ,&nbsp;Narintorn Rattanata ,&nbsp;Daraporn Chua-on ,&nbsp;Patcharaporn Tippayawat ,&nbsp;Pornsuda Maraming ,&nbsp;Ratree Tavichakorntrakool ,&nbsp;Pitsamai Saisud ,&nbsp;Jringjai Areemit ,&nbsp;Jureerut Daduang","doi":"10.1016/j.kjs.2025.100510","DOIUrl":"10.1016/j.kjs.2025.100510","url":null,"abstract":"<div><div>Foodborne pathogens represent a significant global health challenge. Vegetables, rich in phytochemicals, offer the potential to inhibit these pathogens. This study investigated the therapeutic potential of ethanolic extracts from eight local Thai vegetables against common foodborne bacteria and inflammation. Antibacterial properties were evaluated using disk-diffusion and minimum bactericidal concentration (MBC) assays against <em>Staphylococcus aureus, Escherichia coli, Salmonella</em> spp.<em>, Vibrio cholerae</em>, and <em>Shigella flexneri</em>. Anti-inflammation and anti-apoptosis effects were also evaluated. All extracts demonstrated antibacterial activity, with <em>Schinus terebinthifolius</em> Raddi (MT) and <em>Caesalpinia mimosoides</em> Lamk (KY) showing particularly potent effects. The scanning electron microscope revealed that MT and KY extracts disrupted bacterial cell walls. Additionally, MT, KY, <em>Zanthoxylum limonella</em> Alston (MK), and <em>Acmella oleracea</em> (L.) R.K. Jansen (KV) significantly reduced nitric oxide production in lipopolysaccharide (LPS)-treated RAW 264.7 cells. Real-time polymerase chain reaction (PCR) analysis indicated that these extracts significantly downregulated the expression of iNOS, TNF-α, IL-1β, IL-6, caspase-3, and p53 mRNA. Our findings suggest that these vegetable extracts have potential for further development as therapeutic agents against foodborne pathogens and related inflammation.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"53 1","pages":"Article 100510"},"PeriodicalIF":1.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Seismic site characterization of Malang Regency (Indonesia) using HVSR inversion","authors":"Adi Susilo ,&nbsp;Siti Zulaikah ,&nbsp;Ahmad Fauzi ,&nbsp;Ilham ,&nbsp;Ma'muri ,&nbsp;Ken Wirawan ,&nbsp;Saffanatul Haniyyah ,&nbsp;Ahmad Zarkoni ,&nbsp;Yoga Dharma Persada ,&nbsp;Andy Anderson Bery ,&nbsp;Muhammad Fathur Rouf Hasan","doi":"10.1016/j.kjs.2025.100486","DOIUrl":"10.1016/j.kjs.2025.100486","url":null,"abstract":"<div><div>Based on Indonesia's active fault map, this study focuses on the Eurasian and Indo-Australian plate subduction zone in the southern sea of Java, an area that is highly susceptible to earthquake risk and soil vulnerability. This study aims to determine soil vulnerability based on average shear wave velocity of the top 30 m (Vs30) and sediment thickness (z_1.0) parameters to map areas at risk of earthquake in the study area. From both parameters, the most vulnerable and safest area in Purwodadi Village, Indoensia will be determined. The method used in this research is microtremor measurement with a portable miniature broad band (MBB-2) seismograph. Measurements were conducted at 19 points spaced approximately 500 m apart. Horizontal vertical spectral ratio (HVSR) inversion was applied to obtain shear wave velocity profiles at each point. Soil assessment was performed using Vs30 parameters, classified according to the American society of civil engineers (ASCE) standards. The results show that areas with relatively high earthquake vulnerability, indicated by low Vs30 values, are located near measurement points RKI08 and RKI18 in residential areas and RKI04 on slopes with Vs30 values are 219.0 m/s, 248.9 m/s, and 230.2 m/s respectively. Besides that, these points have high z_1.0 value, these values are 388.0 m, 517.8 m, and 46.6 m respectively. Meanwhile, areas with lower vulnerability are found at RKI10 and RKI09 in residential areas and RKI05 on slopes, with Vs30 values are 502.0 m/s, 481.1 m/s, and 416.0 m/s respectively. These points have Vs30 values classified as “very dense soil” and have low z_1.0 values (60.3 m, 109.6 m, and 43.9 m respectively). Based on data processing, there is a fault that stretches straight from RKI04, RKI11, to RKI14. However, more research needs to be conducted using alternate methods to confirm the existence of the fault. This mapping is expected to provide local authorities valuable input for disaster mitigation planning.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"53 1","pages":"Article 100486"},"PeriodicalIF":1.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144879235","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantifying the impact: Statistical analysis of weather and paddy activities on paddy effluent quality","authors":"Muhammad Nasri Nasehir Khan ,&nbsp;Mohd Remy Rozainy Mohd Arif Zainol ,&nbsp;Mohamad Firdaus Mohamad Yusop ,&nbsp;Mohd Azmier Ahmad ,&nbsp;Muhamad Faizal Pakir Mohamed Latiff","doi":"10.1016/j.kjs.2025.100471","DOIUrl":"10.1016/j.kjs.2025.100471","url":null,"abstract":"<div><div>Paddy cultivation is a cornerstone of global agriculture and food production while supporting rural economies worldwide. Nonetheless, the intensive farming methods have adversely impacted water quality due to the poor effluent quality. The objective of this study is to investigate the influence of weather conditions in terms of precipitation and stages of paddy farming activities on the quality of effluent discharged from paddy fields. A holistic approach was applied to integrate the paddy activities and weather variability into the analysis, uncovering nuanced relationships that have previously been overlooked. The water quality parameters, including biochemical oxygen demand (BOD), ammoniacal nitrogen (NH₃–N), total suspended solids (TSS), total phosphorus (TP), total nitrogen (TN), arsenic (As), and aluminium (Al), were comprehensively assessed with statistical methods such as t-tests and analysis of variance (ANOVA). The implementation of statistical methods such as t-tests and ANOVA provides a robust framework for quantifying these relationships and determining their significance. Results showed that the stages of paddy farming activities influenced all the measured water quality parameters statistically significantly, with p-values less than 0.05 obtained for all the parameters. The weather conditions did not significantly influence the quality of the paddy fields effluent. However, the effect of weather conditions with the combination of paddy farming activities is statistically significant towards NH₃–N, TSS, and Al with a p-value less than 0.05. This research contributes valuable insights to the scientific understanding of paddy agriculture's environmental footprint and informs evidence-based policies for promoting sustainable agriculture and preserving water quality worldwide. By understanding how weather patterns and farming practices impact effluent quality, strategies to mitigate environmental risks and optimize water management practices in paddy cultivation areas can be developed.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"53 1","pages":"Article 100471"},"PeriodicalIF":1.2,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144696975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fractional perspective of HH f-divergence, midpoint and trapezoidal type estimates for superquadratic function","authors":"Saad Ihsan Butt ,&nbsp;Dawood Khan ,&nbsp;Sanja Tipurić-Spužević ,&nbsp;Bandar Bin Mohsin","doi":"10.1016/j.kjs.2025.100452","DOIUrl":"10.1016/j.kjs.2025.100452","url":null,"abstract":"<div><div>In this study, we take into account the notion of superquadraticity and come up with the fractional version of midpoint and trapezoidal types estimations for differentiable superquadratic function via Riemann–Liouville’s fractional integral operators. It is to be noted that the inequalities derived from superquadratic functions exhibit greater refinement in comparison to those derived from convex functions. The findings are validated through simplified results, numerical analyses, and graphical representations, using a selection of suitable examples. We also introduce the Hermite–Hadamard (HH) <span><math><mi>f</mi></math></span>-divergence for superquadratic function and obtain its associate properties via Riemann–Liouville’s fractional integral operators. The work is enhanced with applications of modified Bessel’s function of Type-1 and Mittag-Leffler function which is another motivating factor. The new results significantly extend and enhance the existing work available in the literature.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"53 1","pages":"Article 100452"},"PeriodicalIF":1.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144781141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"CRAXNet: Credit Rating via Advanced XGBoost and Neural Networks","authors":"Muhammed Golec ,&nbsp;Maha AlabdulJalil","doi":"10.1016/j.kjs.2025.100490","DOIUrl":"10.1016/j.kjs.2025.100490","url":null,"abstract":"<div><div>One of the most important criteria for evaluating corporate creditworthiness in the financial services sector is credit risk analysis. This paper presents a new two-stage model CRAXNet for corporate credit rating. CRAXNet combines the feature selection of XGBoost and the nonlinear pattern learning ability of Neural Networks (NN) to make high-accuracy credit score predictions. CRAXNet, unlike the studies in the literature, provides a unique architecture that provides the class probabilities generated by XGBoost as inputs for the classifier in the NN model. Thus, CRAXNet can successfully model relationships in complex financial data with linear and nonlinear patterns. Experimental results using two different public datasets confirm that CRAXNet outperforms five State of the Art (SOTA) baselines (KNN, FIKNN, AF, Doc2Vec, and CART) with up to 4.74% accuracy and 9.86% F1-Score performance improvement. The datasets and source code used in the paper are publicly available for future researchers.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"53 1","pages":"Article 100490"},"PeriodicalIF":1.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145265502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine learning model for predicting cyber-criminal characteristics","authors":"Hesham A. Almansouri,&nbsp;Mohammad M. Khajah,&nbsp;Nasser B. Alsnayen","doi":"10.1016/j.kjs.2025.100487","DOIUrl":"10.1016/j.kjs.2025.100487","url":null,"abstract":"<div><div>This study aims to predict investigation outcomes of individual cybercrime cases using the most relevant information provided by complainants. We curated a dataset on solved hacking cases from 2019 to 2022 from the cyber-crime combating department (3CD) in the State of Kuwait. Each case has a set of information provided by the complainants (input features), and a corresponding set of investigation results (outputs). For each output, several machine learning models, such as decision trees and feed-forward neural networks, were evaluated, via nested 5-fold cross-validation to measure how well they could predict the output, given the input features. Input feature sets were either selected from all possible input feature combinations (brute force) or from a limited set of officer-provided combinations (officer-guided). Finally, a post-hoc analysis of the results was performed to identify a single set of features that can be used to build reasonably predictive models for all collected outputs. Depending on the output, the brute force and officer-guided approaches have a median relative advantage of 92% and 53% over the baseline models and worst-officer score respectively. On almost all outputs, the brute-force approach is just as good, if not better, than the officer-guided approach. No relationship was observed between officer rank and the predictive power of the combination of features they selected. Different outputs require different sets of features, and there is a significant overlap between brute force and officer-guided features in five out of the 10 outputs. Most selected features have a reliable negative impact on prediction performance when perturbed, with some outputs relying on a few critical features and others on a spectrum of features. Finally, a single set of features can predict most outputs almost as well as output-specific features.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"53 1","pages":"Article 100487"},"PeriodicalIF":1.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144892935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural characterization of new pyrrolic compounds produced by Streptomyces coelicoflavus MFB strains with evaluation of their antiproliferative and antibacterial effects","authors":"Ayoub El Abbassi ,&nbsp;Ayoub Lahmidi ,&nbsp;Salaheddine Redouane ,&nbsp;Norddine Habti ,&nbsp;Mohammed Menggad","doi":"10.1016/j.kjs.2025.100524","DOIUrl":"10.1016/j.kjs.2025.100524","url":null,"abstract":"<div><div>Bacterial pigments like the bi-pyrrolic Tambjamines (TMj) and tri-pyrrolic Prodiginines (PGs) are biosynthesized through similar metabolic pathways with a shared route that bifurcates to generate diverse molecules belonging to these families. The responsible enzymes have the flexibility to create many variable structures of PGs and TMj among the producer species. These compounds have potent bioactivities and have inspired the development of new clinical drugs. Herein, we report the isolation and characterization of pyrrolic compounds similar to the PGs and TMj from <em>Streptomyces coelicoflavus</em> strains (MFB11, MFB20, MFB23, and MFB24). The new compounds were characterized through mass spectroscopy, ¹H-NMR, ¹³C-NMR, and DEPT-135 analysis as novel molecules: butyl-bi-ethoxy-pyrrole (FB1) and bi-ethoxy-prodiginine (FB2). The two compounds showed potent antibacterial activity, with FB2 being active against <em>M. luteus, S. aureus, and B. subtilis</em>, while FB1 demonstrated activity against <em>B. subtilis</em>. Also, they exerted apoptotic effects against the P3X63Ag8 resistant cell line (through Bcl-xl overexpression) with IC₅₀ values of 45.6 μM and 63.02 μM, for FB2 and FB1, respectively. Furthermore, molecular docking of the novel structures against Bcl-xl showed that they bind with good affinity (-5.9 kcal mol⁻¹ and -5.5 kcal mol⁻¹) to the key BH3 domain targeted by standard anticancer drugs. The new bioorganic molecules could be exploited for medical use as antibacterials and/or anticancer drugs.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"53 1","pages":"Article 100524"},"PeriodicalIF":1.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145733421","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anomaly detection for live streaming graphs using copula based student-t process regression","authors":"Mir Salma Amin,&nbsp;Hare Krishna Maity","doi":"10.1016/j.kjs.2025.100488","DOIUrl":"10.1016/j.kjs.2025.100488","url":null,"abstract":"<div><div>In a time dependent streaming graph, detecting unusual activities such as intrusions by unregistered users (anomalous nodes) or unauthorized high value transactions (anomalous edges) presents a significant challenge. To address this, a time-evolving Laplacian graph energy was introduced to help identify specific anomalous nodes and edges. The weights of the streaming nodes and edges are captured using student-t process regression over time, enabling prediction of the expected graph energy. Significant deviations in graph energy from expected values, based on new observations, indicate potential anomalies, allowing us to identify unusual nodes or edges precisely. The kernel function’s hyperparameters are tuned using a copula function over an observation window, allowing the model to integrate historical behavior with emerging patterns. To validate this approach, real-world data from the UCI messages, Bitcoin OTC, DARPA and DGraphFin datasets were used for evaluation.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"53 1","pages":"Article 100488"},"PeriodicalIF":1.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144906666","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unveiling the potential of Tarchonanthus camphoratus L.: An exploration of its chemical composition, antioxidant properties, antimicrobial effect, computational docking for anti-MRSA effects, and visualization studies","authors":"Mukul Sharma ,&nbsp;Khatib Ismail Sayeed ,&nbsp;Hanan Bosly ,&nbsp;Habib Khemira ,&nbsp;Afraim Koty ,&nbsp;Sivakumar S. Moni ,&nbsp;Manal Mohamed Elhassan Taha ,&nbsp;Zeinab A. Mohammed ,&nbsp;Siddig Ibrahim Abdelwahab ,&nbsp;Heyam Mohamed Sid Ahmed ,&nbsp;Mohamed Ahmed Mohamed Ali ,&nbsp;Magbool E. Oraiby","doi":"10.1016/j.kjs.2025.100503","DOIUrl":"10.1016/j.kjs.2025.100503","url":null,"abstract":"<div><div><em>Tarchonanthus camphoratus</em> L. is a medicinal plant traditionally used in various therapeutic contexts owing to its rich phytochemical composition. This study comprehensively investigated the chemical profile, antimicrobial activity, antioxidant potential, and pharmacological relevance of <em>T. camphoratus</em> essential oil (TC-EO) while also analyzing current research trends through bibliometric visualization. The chemical composition of TC-EO was analyzed using gas chromatography–mass spectrometry (GC-MS) to identify 25 compounds, with exo-fenchol (15.08 %), p-menth-1-en-8-ol (10.53 %), and 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane (9.04 %) as the dominant constituents. Antimicrobial activity was assessed using antimicrobial sensitivity testing (AST) and minimum inhibitory concentration (MIC) against seven microbial strains. TC-EO exhibited potent antibacterial effects, particularly against methicillin-resistant <em>Staphylococcus aureus</em> (MRSA; 32 mm inhibition zone) and <em>Staphylococcus aureus</em> (24 mm), exceeding the performance of gatifloxacin. Moderate inhibition was observed against <em>Escherichia coli</em> (20 mm) and <em>Candida albicans</em> (14 mm). The DPPH (2,2-diphenyl-1-picrylhydrazyl) assay revealed moderate antioxidant activity (45.56 %). Molecular docking, conducted using Flare software, indicated dual anti-MRSA mechanisms: eudesm-4(14)-en-11-ol targeted PBP2a, whereas spatulenol bound to DHFR (dihydrofolate reductase), both with favorable binding energies. Seven other compounds showed potential antivirulence properties. SwissADME predictions supported the drug-likeness and pharmacokinetic viability of key constituents. Bibliometric analysis using VOSviewer has demonstrated a rising global interest in <em>T. camphoratus</em> research, especially in the antimicrobial and pharmacological domains. Overall, these findings validate the traditional uses of <em>T. camphoratus</em>, emphasize its therapeutic potential, and provide a foundation for further pharmacological exploration and drug development.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"53 1","pages":"Article 100503"},"PeriodicalIF":1.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145324542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In silico insights into (±)-zanthonitidumine B: anti-Inflammatory potency and enantiomeric selectivity through molecular docking, DFT, and MEP studies","authors":"Maram B. Alhawarri ,&nbsp;Amit Dubey ,&nbsp;Aisha Tufail ,&nbsp;Mohammad G. Al-Thiabat","doi":"10.1016/j.kjs.2025.100516","DOIUrl":"10.1016/j.kjs.2025.100516","url":null,"abstract":"<div><div>Inflammation becomes pathogenic when dysregulated, with interleukin-6 (IL-6) and tumor necrosis factor-α (TNF-α) acting as central mediators. (±)-Zanthonitidumine B, a racemic benzophenanthridine alkaloid from <em>Zanthoxylum nitidum</em>, has been reported to suppress these cytokines. In this study, the enantiomers (+)-zanthonitidumine B and (−)-zanthonitidumine B were investigated using molecular docking supported by density functional theory (DFT) and molecular electrostatic potential (MEP) analyses. Docking simulations against TNF-α (PDB: 6X86; validated by redocking of the co-crystallized ligand, Δ<em>G</em>_bind = −13.13 kcal/mol) revealed that (−)-zanthonitidumine B exhibited stronger (more negative) binding (Δ<em>G</em>_bind = −10.73 kcal/mol) than (+)-zanthonitidumine B (Δ<em>G</em>_bind = −8.68 kcal/mol), forming a hydrogen bond with Tyr:119 (2.61 Å) and multiple hydrophobic contacts. Against IL-6 (PDB: 1ALU), both enantiomers showed comparable affinities [(+): 7.76 kcal/mol; (−): 7.64 kcal/mol] but distinct binding modes— (+)-zanthonitidumine B interacting with Gln:127/Ile:136 and (−)-zanthonitidumine B with Asp:140 and π–σ contacts at Leu:147. DFT results indicated a smaller HOMO–LUMO gap for (−)-zanthonitidumine B (2.71 eV) compared to (+)-zanthonitidumine B (1.97 eV), while MEP maps highlighted electron-rich regions near oxygen atoms, rationalizing the observed interaction hot spots. Collectively, these <em>in silico</em> results nominate (−)-zanthonitidumine B as the stronger TNF-α binder and suggest comparable IL-6 engagement for both enantiomers, providing stereochemical hypotheses to guide future chiral isolation and <em>in vitro</em> anti-inflammatory validation.</div></div>","PeriodicalId":17848,"journal":{"name":"Kuwait Journal of Science","volume":"53 1","pages":"Article 100516"},"PeriodicalIF":1.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}