Browse studies, page 855

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• Long-term omega-3 fatty acids modulate immune responses more effectively than ibuprofen in Mtb-infected mice: An in silico functional analysis approach International Immunopharmacology, 2025
• Copper exposure elicits pyroptosis and inflammation in bursa of Fabricius and omega-3 reverses this phenomenon by inhibiting NF-κB-NLRP3-GSDMD axis: In vivo, in vitro, and in silico investigations Pesticide Biochemistry and Physiology, 2025
• Therapeutic Effects of Active Compounds from Poria Cocos on Pulmonary Hypertension ACS omega, 2026
• Flavonoids as Structural Probes Reveal Conformationally Dependent Ligand Recognition in the SARS-CoV-2 JN.1 Spike Protein International journal of molecular sciences, 2026
• Design, Synthesis, Molecular Docking, Dynamics Simulation, and Biological Evaluation of Novel Thiazolidinedione Derivatives Against Breast Cancer with Apoptosis-Inducing Activity ACS omega, 2026
• In Silico Identification of Chiral Biflavonoids as Dual PI3Kα/mTOR Inhibitors ACS omega, 2025
• Green-Synthesized Carbon Quantum Dots (CQDs): Integrated Spectroscopic and Computational Investigation of Bovine Serum Albumin (BSA) Binding Interaction ACS omega, 2026
• Salvia miltiorrhiza ultrafine powder improves ileal barrier function and health of hens during late laying period via TLR4/NF-κB-mediated macrophage polarization Frontiers in immunology, 2026
• Combining Experimental Assays and Molecular Modeling to Evaluate Monosubstituted Cinnamic Acid Derivatives as PDE4B Inhibitors ACS omega, 2025
• Folic Acid Targeting Shared Sepsis-Osteoporosis Pathogenesis: From Computational Discovery to Dynamic Binding Mechanisms ACS omega, 2026
• Design of a multiepitope immunotherapy for fish allergy Scientific reports, 2026
• Immunoinformatics based designing of a broad-spectrum multi-epitope vaccine against co-infection of human metapneumovirus, respiratory syncytial virus, and influenza A virus Scientific reports, 2026
• Acetogenins from Annona coriacea Target TNFR1-Mediated Cell Death in Head and Neck Cancer ACS omega, 2026
• Structural Basis for Potent Inhibition of Human DHODH by Quinoline-4-carboxylic Acid Derivatives ACS omega, 2026
• Targeting SUMOylation with Anacardic Acid Derivatives: Novel Insights into EGF Pathway Dysregulation in Cancer Using an In Silico Approach ACS omega, 2025
• Coumarin Conjugation as an Albumin-Binding Strategy to Modulate the Pharmacokinetics of FAPI Radiotracers ACS omega, 2026
• DNA Binding Properties of Novel Pyrrolyl Quinones Derivatives: Insights from Spectroscopic, Electrophoretic and Computational Studies ACS omega, 2026
• Anti-Trypanosoma cruzi Effects of Sesquiterpenoids from Branches of Drimys brasiliensis (Winteraceae) ACS omega, 2025
• Safety, Sedative, and Anxiolytic Evaluation of MECS Hard Capsules Using In Silico and In Vivo Approaches ACS omega, 2026
• In Vitro and In Silico Evaluation of the Trypanocidal Activity of a Subfraction Isolated from Mutisia campanulata ACS omega, 2026
• Gualou-Xiebai-Baijiu Decoction Ameliorates Atherosclerosis by Inhibiting the ARG1/l‑Arg/NO Pathway: A Study Based on Network Pharmacology ACS omega, 2026
• Structural Modification of Indole Derivatives as PknB Inhibitors for Enhanced Enzymatic Inhibition and Antimycobacterial Activity ACS omega, 2026
• Exploring the Molecular Mechanism of Shaoyao Gancao Decoction for Trigeminal Neuralgia Based on Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation ACS omega, 2026
• Identification of the Acetamide-Chalcone Derivative That Selectively Inhibits ABCG2 Transport Activity ACS omega, 2026
• 2-(Arylamino)thiazol-4(5H)-ones Mitigate Oxidative Stress and Confer Neuroprotection in Cellular and Drosophila Models of Alzheimer's Disease International journal of molecular sciences, 2026
• Exploring the Potential Mechanism of Polyethylene Terephthalate Associated Cardiotoxicity through Network Toxicology and Molecular Docking ACS omega, 2026
• Piperazine-Thiourea Hybrids as Novel Antiplatelet Agents Targeting COX-1: Synthesis, in Vitro, and in Silico Evaluation ACS omega, 2026
• In Silico Profiling of Phytochemicals for Modulating Amyloid Beta-Mediated Immune Regulation and Neuroinflammation in Alzheimer's Disease ACS omega, 2026
• Purification and characterization of a dihydroxy Oxocyclohexyl acetate derivative from endophytic Aspergillus Candidus targeting Candida albicans lanosterol 14α-Demethylase Scientific reports, 2026
• Comprehensive Evaluation of Tectona grandis L.f.: Integrated In Vitro and In Silico Analysis of Steroid 5α-Reductase Inhibition and Anti-Inflammatory Properties ACS omega, 2025
• Development of Novel Inhibitors for Alzheimer's Disease from Erythrina variegata L. Extract-Derived Clusters Using Molecular Docking, QSAR Modeling, Quantum Chemical Calculations, and Molecular Dynamics Simulations ACS omega, 2026
• Structural and Functional Disruption of Thiopurine S‑Methyltransferase by the A80P Variant: A Simulation and Genotyping Study ACS omega, 2026
• Alchemical Free Energy Perturbation Predicts Relative Binding Affinities of Propofol Analogs and Etomidate Stereoisomers at the GABAAR ACS omega, 2026
• Link Prediction in Multipartite Graphs With Application to Drug Repositioning Studies IEEE transactions on computational biology and bioinformatics, 2025
• The Antithrombotic Potential of Sulfated-Polysaccharides from Red Seaweed Hypnea musciformis (Wulfen) J.V. Lamouroux: An In Vitro, In Silico and In Vivo Study ACS omega, 2026
• Unveiling the Potential of Morpholinium Surface Active Ionic Liquids for Epidermal Growth Factor Receptor Inhibition: Synthesis, Integrating Molecular Docking, Dynamics, and In Vitro Studies ACS omega, 2025
• Design, Synthesis, Antiproliferative Potency and In Silico Studies of Novel Alkynyl Quinazolines as Potential EGFR Inhibitors International journal of molecular sciences, 2026
• Integrative In Silico and In Vivo Evidence of Quercetin as a Multitarget Neuroprotective Agent in Alzheimer's Disease ACS omega, 2026
• Integrative Machine Learning and Structural Modeling Identify Multitarget Therapeutic Candidates for Idiopathic Pulmonary Fibrosis ACS omega, 2026
• Selection of Novel DNA Aptamers against HPV16 Biomarker, E6: An In Silico Approach ACS omega, 2026
• Scale-Up Isolation of High-Purity Shatavarins from Asparagus racemosus via Flash Chromatography with Bioavailability and Pharmacological Insights ACS omega, 2026
• Elucidation of DNA Primase as a Drug Target in Leishmania donovani: Structure-Guided Inhibitor Identification and Biochemical Validation Chemical biology & drug design, 2026
• Computational Selectivity Analysis of Aptamer toward Oxidized Low-Density Lipoprotein ACS omega, 2026
• Identification of Novel Small-Molecule Janus Kinase 1 and 2 Inhibitors Through Structure-Based Virtual Screening, In Vitro Assays, and Molecular Dynamics Simulations ACS omega, 2026
• Isolation of Phytoecdysteroids: Ajugasterone C and 20-Hydroxyecdysone, from Sida alba Linn ACS omega, 2026
• Structural and Functional Impact of the G340S Mutation in Plasmodium falciparum Ferredoxin NADP⁺ Reductase: In silico Analysis and Molecular Docking Gates open research, 2026
• Overcoming Docetaxel Resistance in Prostate Cancer by Targeting Cell Cycle Progression with Narciclasine-Based Compounds ACS omega, 2026
• Boswellia carterii Essential Oil and Constituents Alleviate Anxiety-like Behavior in Zebrafish Larvae Model ACS omega, 2026
• Computational screening and molecular modeling of probiotic-derived peptides targeting the conserved HR1 domain of SARS-CoV-2 spike protein Scientific reports, 2025
• Investigation of Antioxidant, In Silico and In Vivo Antiulcer Activities of New Natural Xanthenone and Antracenone Isolated from Tricholaena teneriffae L. Roots Molecules (Basel, Switzerland), 2026
• Immunoinformatics-guided design of a universal chimeric multi-epitope subunit vaccine against Marburg virus disease and Ravn virus co-infection Scientific reports, 2026
• Receptor-Selective Modulation of Cannabinoid Signaling by Cardamonin: Integrating Molecular Dynamics, Free Energy Calculations, and Behavioral Validation ACS omega, 2026
• Repurposing T‑614 for Gout: An In Silico Framework Integrating Network Pharmacology, Mendelian Randomization, and Single-Cell and Molecular Dynamics Analyses ACS omega, 2026
• Identifying Potential BACE1 Inhibitors from the ChEMBL Database Using Machine Learning and Atomistic Simulation Approaches ACS omega, 2026
• Bend and Snap: Computationally Exploring the Helix Bias for Classifying Abl Kinase Allosteric Modulators Journal of chemical information and modeling, 2026
• Potential of Phenolic Metabolites from Gymnopetalum cochinchinense for Alzheimer's Disease Alleviation ACS omega, 2026
• Development of a potential vaccine against dengue and chikungunya virus co-infection using immunoinformatics and structural evaluation Journal, genetic engineering & biotechnology, 2026
• Flavonoids From Fumana juniperina (Lag. ex Dunal) Aerial Parts: Chemical Characterization, Antioxidant, and Anticholinesterase Activities Supported by In Silico Analysis Chemistry & biodiversity, 2026
• Dimeric Anthraquinone Rugulosin A Induces Apoptosis in Lung Adenocarcinoma and Targets PI3K/AKT/MAPK Pathways In Silico ACS omega, 2026
• Computational evaluation of EPA-PC binding to GCase in neuronopathic Gaucher disease Current research in structural biology, 2026
• Mutation-Induced Pocket Deactivation: How Ser353/Pro245 Alters KCa2.2 vs. KCa3.1 Ligand Selectivity Archiv der Pharmazie, 2026
• Virtual screening of GPR37L1 small-molecule modulator for neuropathic pain Pain, 2026
• Cyto-Genotoxic Impacts of Antimony Tin Oxide (ATO) Nanoparticles on Allium cepa Root Meristem Cells: An Integrative Experimental and in Silico Approach ACS omega, 2026
• Moringa oleifera potential for the treatment and prevention of COVID-19 involving molecular interaction, antioxidant properties and kinetic mechanism PloS one, 2025
• Crocetin Halts Tumorigenesis in Metastatic Breast Cancer via Disrupting CYP2J2/EET Axis ACS omega, 2026
• Design, Synthesis, In Vitro, and In Silico Enzymatic Evaluations of New Chrysin Sulfonohydrazide Derivatives as Potent α‑Glucosidase Inhibitors ACS omega, 2026
• Structural and Mechanistic Insights into the O‑Methyltransferase McbD in Marinacarboline Biosynthesis ACS omega, 2026
• γ-glutamyl carboxylase inhibition by Anisindione Structure (London, England : 1993), 2026
• Eleutherine plicata Herb. and Its Promising Constituents Amoebicides ACS omega, 2025
• Virtual screening of compounds for the development of thyroid hormone analogues for potential application in cardiac regeneration Journal of computer-aided molecular design, 2026
• Isolation, Antioxidant Activity, and Reaction Mechanism of Chamazulene from Artemisia selengensis Turcz. ex Besser Essential Oil ACS omega, 2026
• On the transport of a suspended particle in flow through the entrance region of a tube Biorheology, 1994
• Turbulence modeling in three-dimensional stenosed arterial bifurcations Journal of biomechanical engineering, 2007
• Laminar-to-turbulence and relaminarization zones detection by simulation of low Reynolds number turbulent blood flow in large stenosed arteries Bio-medical materials and engineering, 2016
• Influence of a postural change of the swimmer's head in hydrodynamic performances using 3D CFD. Computer methods in biomechanics and biomedical engineering, 2014
• Prediction of the 3D structure and dynamics of human DP G-protein coupled receptor bound to an agonist and an antagonist Journal of the American Chemical Society, 2007
• Modeling of 2-pyridin-3-yl-benzo[d][1,3]oxazin-4-one derivatives by several conformational searching tools and molecular docking Current pharmaceutical design, 2013
• Structural insights into omega-class glutathione transferases: a snapshot of enzyme reduction and identification of a non-catalytic ligandin site PloS one, 2013
• A comparison of resonance tuning with positive versus negative sensory feedback Biological cybernetics, 2007
• Anomalous membrane organization by omega-6 and omega-9 fatty acids Physical chemistry chemical physics : PCCP, 2025
• Peptide-based investigation of the Escherichia coli RNA polymerase σ(70):core interface as target site ACS chemical biology, 2013
• Cost-effectiveness of highly purified omega-3 polyunsaturated fatty acid ethyl esters in the treatment of chronic heart failure: results of Markov modelling in a UK setting European journal of heart failure, 2011
• Electric fields within cells as a function of membrane resistivity--a model study IEEE transactions on nanobioscience, 2004
• Synthesis, characterization, cytotoxicity studies, theoretical approach of adsorptive removal and molecular calculations of four new phosphoramide derivatives and related graphene oxide Bioorganic chemistry, 2021
• Functional motions modulating VanA ligand binding unraveled by self-organizing maps Journal of chemical information and modeling, 2014
• Learn ++.NC: combining ensemble of classifiers with dynamically weighted consult-and-vote for efficient incremental learning of new classes IEEE transactions on neural networks, 2009
• Frequency domain models of the EEG. Brain topography, 1992
• Identification and functional characterization of Buglossoides arvensis microsomal fatty acid desaturation pathway genes involved in polyunsaturated fatty acid synthesis in seeds Journal of biotechnology, 2020
• The "gate keeper" role of Trp222 determines the enantiopreference of diketoreductase toward 2-chloro-1-phenylethanone PloS one, 2014
• Linking molecular models with ion mobility experiments. Illustration with a rigid nucleic acid structure Journal of mass spectrometry : JMS, 2015
• The effect of leaf-level spatial variability in photosynthetic capacity on biochemical parameter estimates using the Farquhar model: a theoretical analysis Plant physiology, 2008
• Low-temperature molecular dynamics simulations of horse heart cytochrome c and comparison with inelastic neutron scattering data European biophysics journal : EBJ, 2013
• Computational Study of Symmetric Methylation on Histone Arginine Catalyzed by Protein Arginine Methyltransferase PRMT5 through QM/MM MD and Free Energy Simulations Molecules (Basel, Switzerland), 2015
• Epidemic spreading in multiplex networks influenced by opinion exchanges on vaccination PloS one, 2017
• The high-frequency dispersion coefficient for the Rayleigh velocity in a vertically inhomogeneous anisotropic half-space The Journal of the Acoustical Society of America, 2008
• Measurement of the chondrocyte membrane permeability to Me2SO, glycerol and 1,2-propanediol Medical engineering & physics, 2003
• Electrokinetic particle-electrode interactions at high frequencies Physical review. E, Statistical, nonlinear, and soft matter physics, 2013
• Model-based discrete relaxation process representation of band-limited power-law attenuation The Journal of the Acoustical Society of America, 2013
• Structural and Dynamic Features of Acinetobacter baumannii OXA-66 β-Lactamase Explain Its Stability and Evolution of Novel Variants Journal of molecular biology, 2024
• Control of Fano asymmetry in plasmon induced transparency and its application to plasmonic waveguide modulator Optics express, 2012