Search Results (157)

Background and Objectives: To investigate prognostic risk factors and determine the incidence, clinical characteristics, and predictors of heart failure (HF) development in pediatric patients with end-stage kidney disease (ESKD) secondary to steroid-resistant nephrotic syndrome (SRNS). Materials and Methods: We conducted a retrospective cohort study of pediatric patients diagnosed with ESKD secondary to nephrotic syndrome (NS) between 2014 and 2020. Patients were stratified based on clinical outcomes and the occurrence of HF during follow-up. Comparative analyses of clinical characteristics, laboratory parameters, and cardiac assessments were performed across groups. Multivariate logistic regression was used to identify independent risk factors for HF development within the first year and for adverse prognosis at five years. Results: The cohort comprised 172 children with ESKD secondary to NS. Multivariate logistic regression identified HF as an independent risk factor for adverse long-term outcomes in pediatric patients with ESKD. During follow-up, HF developed in 27 patients (15.7%) within the first year after ESKD diagnosis, and in 45 patients (26.2%) by the end of five years. Early HF onset (within the first year) was associated with a significantly reduced five-year survival rate. Independent risk factors for HF development included elevated cardiac troponin I levels (OR = 6.786, 95% CI: 2.326–19.799), a history of cardiac arrhythmias (OR = 2.951, 95% CI: 1.260–6.912), and the presence of left heart enlargement (OR = 23.669, 95% CI: 2.876–194.827), and valvular regurgitation at the initial post-ESKD diagnosis evaluation. Conclusions: HF is associated with markedly reduced survival. Crucially, our findings demonstrate that pre-existing cardiovascular structural abnormalities—specifically left heart enlargement—and elevated cTnI are robust, early predictors of HF. These findings necessitate a paradigm shift in pediatric ESKD management, we advocate for the implementation of systematic baseline echocardiographic and biomarker screening at the immediate onset of ESKD. Identifying these subclinical, yet modifiable, structural changes provide a critical therapeutic window for targeted anti-remodeling interventions to significantly improve long-term prognosis. Full article

Background/Objectives: People with non-ST-segment elevation myocardial infarction (NSTEMI) with an occluded culprit vessel represent a unique subset of patients; however, their long-term outcomes remain unclear. This study aimed to compare 5-year mortality between NSTEMI patients treated with percutaneous coronary intervention (PCI) based on TIMI flow states in the culprit vessel on presentation (TIMI 0-1 compared to TIMI 2-3). Methods: A retrospective analysis of prospectively collected data of all NSTEMI patients who underwent PCI from 2012 to 2019 at a tertiary cardiac center (The Freeman Hospital, Newcastle-Upon-Tyne, UK) with follow up for 5 years until January 2024. Patients were identified from the database and categorized based on pre-procedural TIMI flow in the culprit vessel. A propensity score was used to pair TIMI 0-1 patients with a matched cohort of TIMI 2-3 patients. The primary outcome was 5-year all-cause mortality. Results: A total of 775 patients with TIMI 0-1 flow were matched with 750 patients who had TIMI 2-3 flow. Patients with TIMI 0-1 flow were more likely to have transient ST elevation (24% vs. 18%, p < 0.001) or Q waves (4% vs. 1%, p < 0.001) compared with patients who had TIMI 2-3 flow. They were also more likely to have moderately to severely impaired left ventricular systolic function compared with patients with TIMI 2-3 flow (21% vs. 16%, p = 0.01). In-hospital mortality (1.2% vs. 1.2%, p = NS), 1-year mortality (5% vs. 6.9%, p = NS), and 5-year mortality (16% vs. 18%, p = 0.34) were not significantly different between the two groups. The use of glycoprotein IIb/IIIa antagonists was associated with lower mortality, HR 0.64 (0.46 to 0.87). Conclusions: NSTEMI patients with occluded culprit vessels who underwent PCI had similar in-hospital and long-term outcomes to patients with patent culprit vessels. The use of glycoprotein IIb/IIIa inhibitors appears to be associated with lower mortality. Full article

Background: This study evaluated the effects of combined exercise (CE) alone and CE combined with Nigella sativa (NS) supplementation on musculoskeletal performance and blood fructosamine levels in male patients with Type 2 diabetes mellitus (T2DM). Methods: Ninety male patients were randomly allocated to one of three groups in a 1:1:1 ratio: a non-exercise comparator (Diabetes), a Diabetes + CE group, or a Diabetes + CE + NS group (n = 30 per group). NS was administered orally (2 g/day) for four weeks. Functional performance outcomes included the six-minute walk test, timed up-and-go test, handgrip strength, and sit-to-stand repetitions. Glycemic control was assessed using blood fructosamine at baseline and after four weeks. Results: Both intervention groups showed significant improvements in all functional outcomes and significant reductions in BMI and fructosamine compared with the non-exercise comparator group (p < 0.05). Post-intervention blood fructosamine was significantly lower in the CE + NS group than in the CE group (p = 0.002). Conclusions: CE significantly improved musculoskeletal performance and short-term glycemic control. The addition of NS appeared to confer additional benefits, particularly on glycemic control and upper- and lower-limb strength, although results should be interpreted with consideration of the short intervention duration, the male-only sample, and reliance on BMI as the body composition measure. Full article

Background: The World Health Organization (WHO) declared a pandemic due to Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), the etiologic agent responsible for Coronavirus Disease 2019 (COVID-19). Although case numbers declined after the initial outbreak, Brazil experienced slight increases in COVID-19 cases in 2024 and 2025, underscoring the persistent need for effective therapeutic interventions. Recently, proxalutamide—an androgen receptor antagonist—has been proposed as a potential therapeutic agent against COVID-19, as supported by several clinical studies. Methods: In the present work, we aimed to elucidate the molecular interactions between proxalutamide and key proteins involved in the viral fusion and replication processes of SARS-CoV-2. Computational techniques, including molecular docking and molecular dynamics simulations, were employed. Results: Our analyses indicated a high success rate, with stable conformations and favorable binding affinity values for ACE2 (−8.90 kcal/mol) and TMPRSS2 (−9.28 kcal/mol), resulting in strong docking scores. Moreover, molecular dynamics simulations confirmed the stability of these complexes, as evidenced by consistent mean square deviation values, low structural flexibility, a stable radius of gyration, and maintained surface rigidity over a 100 ns simulation period. Conclusions: These combined docking and dynamics results suggest that proxalutamide interacts firmly with the active sites, indicating high binding affinity that may interfere with SARS-CoV-2 entry. Nevertheless, experimental validation and rigorous safety assessments are warranted to confirm this potential. Full article

Background and Objectives: Cardiovascular disease (CVD) is the leading cause of death globally. The World Health Organization has called for investigations into traditional systems of medicine for CVD prevention. Ayurveda includes a classical herbal formulation called Maharishi Amrit Kalash (MAK) traditionally used for disease prevention, health promotion and healthy aging. The study objective was to evaluate MAK effects on biomarkers of vascular function and structure compared to vitamin C and E supplementation in a high CVD risk population. Materials and Methods: In this double-blind randomized controlled trial, 138 Black men and women (mean age 65 ± 7 years) with established CVD or high CVD risk were assigned to either MAK (n = 46), vitamin C/E (n = 46), or placebo (n = 46) for 12 months. The primary outcomes were change in brachial artery reactivity testing (BART) with flow-mediated dilation (FMD, endothelium-dependent) and nitroglycerin-mediated dilation (NMD, endothelium-independent). Other outcomes included carotid intima-media thickness (cIMT), blood pressure, and serum lipids. ANCOVA and pairwise comparisons were performed. Results: After 12 months of intervention, the MAK group demonstrated significant improvement in BART-NMD compared to placebo (mean change + 4.18% vs. +2.95%, p = 0.018) and numerical but non-significant improvement compared to the +3.32% mean change for the Vitamin C/E group (p = NS). There were no significant group differences for BART-FMD, cIMT, blood pressure, and lipids. Intervention compliance ranged from 70–80%. Conclusions: In this randomized controlled trial, 12 months of MAK supplementation improved endothelium-independent vascular smooth muscle function (BART-NMD) in Black adults at high CVD risk. The MAK group achieved a mean BART-NMD of approximately 15.6%, reaching the established threshold for normal vascular smooth muscle function. This selective improvement in smooth muscle responsiveness without changes in endothelial function, vascular structure, or conventional risk factors suggests MAK may influence specific pathways relevant to vascular aging. Larger studies with clinical outcomes are needed to further evaluate this effect on cardiovascular health in aging and high-risk populations. Full article

Chronic kidney disease (CKD) lacks highly specific early diagnostic biomarkers and safe, effective therapeutic options. To address this, we integrated multi-cohort transcriptomics, bioinformatics, and machine learning with reverse network pharmacology, molecular docking, molecular dynamics simulations, and in vivo experiments to identify candidate biomarkers associated with CKD and candidate therapeutic compounds for CKD. Our analyses of the GSE175759 training set and external validation datasets (GSE37171 and GSE66494) using differential expression and WGCNA indicated that CKD is characterized by immune-inflammatory activation and suppressed energy metabolism. Integration of PPI analysis with three machine learning algorithms identified JUN and C3 as candidate diagnostic genes. JUN was downregulated, whereas C3 was upregulated in CKD, both showing promising discriminatory performance in the analyzed datasets. Reverse screening identified Resveratrol and Triptolide as candidate active compounds, and molecular docking together with 100 ns molecular dynamics simulations supported stable binding to JUN/C3 complexes. Given its superior safety profile, Resveratrol was selected for experimental validation. In an adenine-induced CKD rat model, Resveratrol improved renal function, reduced proteinuria, alleviated renal injury and fibrosis, and was associated with reduced activation of MAPK/JNK-c-Jun signaling. In conclusion, this study identifies JUN and C3 as candidate biomarkers associated with CKD and suggests Resveratrol as a promising preclinical intervention candidate targeting the MAPK/JNK-c-Jun axis, providing preliminary computational and preclinical evidence for biomarker discovery and natural medicine-based intervention in CKD. Full article

Background/Objectives: Excessive trabeculation of the left ventricle, previously known as left ventricular non-compaction (LVNC), is a rare phenotypic trait whose mechanisms and pathogenesis still remain conflictual. Its presentations may range from heart failure to embolism and, most importantly, ventricular arrhythmias (VAs). This study aims to find novel predictive factors for the occurrence of potentially fatal VAs in patients with left ventricular hypertrabeculation. Methods: All consecutive patients meeting the echocardiographic (Chin, Jenny or Stöllberger) and/or MRI criteria (Petersen) for hypertrabeculation were prospectively enrolled from October 2009 to December 2023. The primary outcome was a composite of sudden cardiac death, sustained ventricular tachycardias (sVTs), ventricular fibrillation (VF) or appropriate implantable cardioverter defibrillator (ICD) interventions. The secondary outcome was a composite of cardiovascular death and cardiovascular hospitalizations. Results: Overall, 64 patients (41 males, mean age 46 ± 19 years old) were enrolled and followed for a median time of 2.2 years. Six patients (9.4%) experienced a composite outcome at eight years, three with previous sVTs and three with previous non-sustained VTs (nsVTs). The strongest predictor of the primary endpoint was the anamnesis of nsVTs and sVTs before LVNC diagnosis. In addition, nsVTs and sVTs were significantly associated with the secondary outcome. Conclusions: Hypertrabeculation of the left ventricle is a complex and poorly understood condition whose status of cardiomyopathy is currently challenged. In our population, patients with a trabecular pattern experienced a high incidence of VAs, cardiovascular death and hospitalizations. VAs before LVNC diagnosis were predictive of the outcome independently from systolic function. Full article

Alzheimer’s disease (AD) is a multifactorial neurodegenerative disorder characterized by cholinergic dysfunction, amyloid-β aggregation, mitochondrial stress, and aberrant kinase activity. Carotenoids, naturally occurring pigments with antioxidant and neuroprotective properties, have emerged as promising candidates for AD intervention. In this study, we performed a systematic stepwise computational screening of a large carotenoid library (n = 1191) to identify multitarget candidates against AD–related proteins. The workflow consisted of predefined ADMET filtering (oral absorption > 90%, Caco-2 > 0.9, logBB > −1, and absence of major CYP inhibition and toxicity alerts), reducing the dataset to 61 compounds, followed by multi-target molecular docking against AChE, BChE, BACE-1, MAO-B, and GSK3-β. Compounds were ranked using an aggregated mean docking score across all five targets, and the top-performing candidate was subjected to detailed mechanistic analyses. Hopkinsiaxanthin emerged as the highest-ranked multitarget carotenoid and was further evaluated using frontier molecular orbital (FMO) analysis, pharmacophore modeling, 100 ns molecular dynamics (MD) simulations, MM/PBSA binding free energy calculations, and per-residue decomposition. Docking predicted favorable estimated binding affinities toward all targets. MD simulations confirmed stable receptor–ligand complexes with low RMSD values (0.278–0.285 nm). MM/PBSA analysis indicated favorable binding free energies, particularly for GSK3-β (−22.73 kcal/mol) and AChE (−21.50 kcal/mol). Per-residue decomposition identified key hotspot residues driving stabilization. Overall, this structured computational framework identifies Hopkinsiaxanthin as a promising multitarget scaffold and supports its prioritization for experimental validation in AD models. Full article

Teacher well-being and performance represent critical challenges for educational systems worldwide. While organizational compassion has been identified as a protective resource, it remains unclear for whom compassion is most beneficial. Drawing on Job Demands–Resources (JD-R) theory and Conservation of Resources (COR) theory, we examined whether teachers’ self-efficacy moderates the relationship between workplace compassion and performance perceptions, testing differential patterns for individual versus organizational performance evaluations. Italian public-school teachers (N = 218; 82% female; M teaching experience = 11.6 years) completed an online survey measuring compassion at work, self-efficacy, and perceptions of individual and organizational performance. We employed a two-stage approach, first validating the measurement model through Confirmatory Factor Analysis (CFA), then testing moderation hypotheses using path analysis with mean-centered variables. Bootstrap confidence intervals (5000 iterations) verified the reliability of interaction effects. Self-efficacy significantly moderated the effect of compassion on individual performance perceptions (β = −0.006, p = 0.006; bootstrap 95% CI: [−0.010, −0.002]), revealing a compensatory pattern. Teachers with lower self-efficacy benefited substantially from workplace compassion (simple slope β = 0.31, p < 0.001), whereas teachers with high self-efficacy showed no significant benefit (β = 0.06, ns). The hypothesized synergistic effect on organizational performance perceptions was not supported (β = 0.006, p = 0.027; bootstrap CI included zero). Organizational compassion functions as a compensatory resource, most powerfully supporting teachers who lack personal resources. This challenges assumptions that organizational interventions uniformly benefit all employees and suggests that compassion-based interventions should be strategically targeted toward teachers experiencing lower self-efficacy. The study advances theoretical understanding of resource substitution mechanisms and provides actionable guidance for optimizing limited organizational resources in educational settings. Full article

Protein kinase inhibition can be achieved through various mechanisms, including blocking phosphorylation activity or disrupting regulatory interactions. While small molecule inhibitors have shown promise, their selectivity remains challenging due to the structural similarities among kinase catalytic sites. To design selective kinase inhibitors based on peptide terminal tail interactions with the activation segment, focusing on five kinases with different conformational states: GSK3, PAK4, TTN (OUT conformation) and PKB, FLT3 (IN conformation). Three-dimensional structures from RCSB PDB were optimized using MODELLER version 9.0. Peptide sequences were designed with PeptiDerive (Rosetta) and RosettaDesign version 3.5, followed by pharmacophore modeling based on key interaction residues. Virtual screening was then conducted with PyRx 0.8 and molecular docking with AutoDock Vina 1.1.2. Molecular dynamics simulations were performed using Desmond v6.6 (Schrödinger Suite 2016, Multisim v3.8.5.19) (100 ns, NPT ensemble, 300 K). Analysis of the five kinases revealed distinct interaction profiles with designed peptidomimetic compounds. Kinases displaying the IN conformation of the activation segment (PKB and FLT3) consistently showed superior stability and stronger interaction profiles compared to those in the OUT conformation. The designed compounds formed key hydrogen bonds and hydrophobic interactions with critical residues in the activation segment binding pocket. The most promising inhibitors demonstrated stability throughout the molecular dynamics simulations, with IN conformation kinases maintaining more consistent conformational profiles than their OUT conformation counterparts. Kinases with IN conformation of the activation segment demonstrated superior stability and interaction profiles compared to OUT conformations. These findings contribute to our understanding of selective kinase inhibition and provide a framework for developing novel inhibitors, particularly for PKB and FLT3. The implications of this study extend to rational drug design approaches that leverage natural regulatory mechanisms for therapeutic intervention, though further optimization is needed for GSK-3β, PAK4, and TTN to improve stability and binding affinity. Full article

Dengue virus (DENV) is a mosquito-borne RNA virus that causes serious illness in humans, ranging from mild fever to severe clinical manifestations, with dengue virus type 2 (DENV-2) being the most virulent among its four serotypes. Despite extensive research, no specific antiviral therapy is currently available, making the host-directed method an appealing therapeutic approach. Evidence shows that DENV manipulates host kinase-driven phosphorylation pathways to control viral pathogenesis. Using the kinase–substrate phosphomotif approach, we predicted phosphorylation sites across the DENV proteome and their potential human kinases. The predicted kinase–substrate interactions were systematically integrated with DENV-2-induced human phosphoproteome datasets, protein–protein interactions, and experimentally-validated viral phosphosites. The therapeutic relevance of the identified host kinases was corroborated by the impact of their inhibitors on DENV-2 infection. Among the 359 potential human kinases predicted to phosphorylate DENV-2 proteins, based on human phosphoproteome and kinase–viral protein interaction analyses, CDK9 emerged as a central hub kinase. Molecular docking analyses further revealed that the host kinases CDK9, EEF2K, HASPIN, and TNNI3K form stable interactions with the viral capsid and NS5 proteins. Additionally, a conservation analysis suggested that the predicted phosphorylation sites are evolutionarily conserved across DENV-2 strains. Computational prediction tools supported the predicted kinase–substrate interactions, underscoring the role of host kinases as key regulators of DENV infection, which may act as potential therapeutic targets. This study highlights the interplay between dengue viral and host proteins, providing insights into host-directed therapeutic strategies for DENV-2 infection and their potential to address the current lack of effective antiviral interventions. Full article

Objectives: CT-guided interventions are associated with radiation exposure, prolonged procedural time, and complications. Navigation systems (NS) have been developed to improve procedural precision and efficiency. This study aimed to evaluate the impact of NS on procedural outcomes, radiation dose, and complication rates compared with conventional freehand techniques. Materials and methods: A systematic review and meta-analysis was performed including 30 studies (11 randomized controlled trials, 19 cohort studies) published through November 2023, involving 2785 patients (1418 NS; 1367 control). Outcomes included the number of needle manipulations, procedural time, radiation dose, complication rates, technical success, and diagnostic success. Random-effects models were applied with subgroup analyses by study design, intervention type, and target organ. Risk of bias was assessed using RoB 2 and ROBINS-I, and certainty of evidence using the GRADE framework. Results: Navigation systems significantly reduced needle manipulations (mean difference [MD], −2.58; 95% CI: −3.30 to −1.85) and procedural time (MD, −8.07 min; 95% CI: −12.27 to −3.87). Radiation dose decreased by 37% (ratio of means [ROM], 0.63; 95% CI: 0.58–0.69). Complication rates were lower overall (odds ratio [OR], 0.64), with fewer chest tube insertions during lung ablations (OR, 0.58; 95% CI: 0.39–0.86). Diagnostic success improved (OR, 1.66; 95% CI: 1.01–2.73), whereas technical success was comparable (OR, 1.41; 95% CI: 0.89–2.24). Conclusions: Navigation systems significantly enhance the efficiency and safety of CT-guided interventions by reducing needle manipulations, radiation exposure, and complication rates, while improving diagnostic success. Full article

Seizure clusters (SCs) are an acute and transient increase in seizure frequency relative to an individual patient’s baseline and are associated with an increased risk of injury, morbidity, and potentially mortality if not promptly and adequately treated. Despite their clinical importance, the management of SCs remains highly heterogeneous, primarily due to the absence of a universally accepted definition, which is determined also by the wide variability in seizure semiology and baseline individual burden;, as well as by differences in care settings. Outpatient treatment relies largely on caregivers’ ability to recognize SCs and administer rescue medication, whereas inpatient management may also involve invasive routes of administration. We conducted a literature review identifying 32 original articles addressing the treatment of SCs. The analysis focused on definitions, efficacy outcomes, and adverse events across three clinical scenarios: outpatient, Emergency Department (EDs) and Epilepsy Monitoring Units. The results show that in the outpatient setting, the available evidence suggests that diazepam nasal spray (DZP-NS), midazolam nasal spray (MDZ-NS), and oral lorazepam (LZP) solution may demonstrate comparable efficacy and safety. However, comparisons are limited by heterogeneity in studies’ designs, patient populations and outcome definitions, as well as by the absence of head-to-head trials. Moreover, geographic differences in drug availability (e.g., USA vs. Europe) limit the development of universally applicable treatment protocols. Consequently, the off-label use of oral benzodiazepines, including clobazam, clonazepam, and lorazepam, remains common when oral therapy is feasible, despite limited evidence. The implementation of a patient-specific Acute Seizure Action Plan (ASAP) incorporating an individualized SC definition is recommended. In contrast, inpatient management shows greater consensus, largely reflecting first-line treatment paradigms for status epilepticus. These include prompt intravenous benzodiazepine administration, followed by the intravenous loading of antiseizure medications such as brivaracetam or lacosamide in cases of seizure recurrence. In ED settings, “empirical” definitions of SCs (i.e., more than three seizures within 24 h) may facilitate timely intervention. Full article

Background/Objectives: Advanced glycation end products (AGEs) and oxidative stress increase with aging and are implicated in Alzheimer’s disease (AD). We developed an anti-glycation blend using LC-MS-based screening and assessed its effects on oxidative and glycation-related biomarkers in humans. Methods: Twelve candidate compounds were screened in a BSA–glucose model using LC-MS peptide mapping to quantify lysine glycation and rank inhibitory activity. The top candidates were combined into a three-compound blend (quercetin, rutin, genistein). In a randomized, double-blind, placebo-controlled 3-month trial, older healthy adults (n = 30) and individuals with AD (n = 30) received anti-AGE blend (n = 15 in older group and n = 15 in AD group) or placebo (n = 15 in older group and n = 15 in AD group). Serum malondialdehyde and urinary Nε-(carboxymethyl)lysine were measured pre–post intervention. Pre/post and between-arm comparisons within each population were performed using REML ANOVA with Tukey post hoc tests. Serum MDA (malondialdehyde) and urinary CML (Nε-(carboxymethyl)lysine) were prespecified biomarker outcomes and are reported here as co-primary biomarker endpoints. No formal a priori sample size calculation was performed; the study size was feasibility-based. Results: LC-MS screening identified genistein, quercetin, and rutin as the most consistent inhibitors of glucose-driven BSA glycation. In older healthy adults, serum MDA decreased after anti-AGE supplementation (p < 0.001) and differed from the placebo (p < 0.01), while no change was observed within the placebo group (ns). In the AD cohort, MDA did not change significantly from baseline within either arm (ns), but post-intervention MDA was lower in anti-AGE than in the placebo (p < 0.05). Urinary CML was unchanged in older healthy adults (ns in both arms), whereas in AD, it decreased after anti-AGE supplementation (p < 0.01) and differed from the placebo (p < 0.05). Conclusions: A screening-guided anti-glycation blend supplementation was associated with changes in selected biomarkers in humans: MDA decreased across cohorts, while CML decreased selectively in AD. Larger trials with extended biomarker panels and LC–MS/MS confirmation are warranted. Full article

Fowl adenoviruses (FAdVs) represent a major threat to poultry health, with serotypes FAdV-1 and FAdV-4 causing adenoviral gizzard erosion (AGE) and hepatitis-hydropericardium syndrome (HHS), respectively. A wide variety of afflicted birds, including chicken, pigeon, and psittacine species, have been reported to carry aviadenoviruses. The disease is highly contagious and spreads rapidly between flocks and farms through vertical and horizontal transmission. In this study, we implemented a multi-stage computational drug-discovery pipeline to identify natural inhibitors of the viral fiber proteins for both FAdV-1 and FAdV-4. A curated library of 7523 natural compounds from the African Natural Products Database (ANPDB) and the South African Natural Compounds Database (SANCDB) was subjected to ADMET-based filtering, molecular docking, ADMET prediction, and 500 ns molecular dynamics simulations against four structural targets: Fiber-1 and Fiber-2 of FAdV-4, and the Short and Long Fibers of FAdV-1. Three ligands, ANPDB_6449 (−10.3 kcal/mol), ANPDB_2908 (−10.2 and −10.0 kcal/mol), and SANCDB_245 (−9.2 kcal/mol), consistently emerged as strong candidates across the entire computational workflow. While ANPDB_2908 demonstrated notable multi-target capability by binding to fiber proteins from both FAdV-1 and FAdV-4, ANPDB_6449 and SANCDB_245 exhibited strong serotype-specific potential, supported by stable interaction profiles and favorable drug-likeness characteristics. Together, these compounds highlight promising natural scaffolds for the development of targeted antiviral interventions against pathogenic FAdV serotypes. Full article