Works matching DE "MOLECULAR docking"
Results: 5000
Pyridopyrazine derivatives as highly selective histamine H4 receptor antagonist for the treatment of atopic dermatitis: QSAR modeling and molecular docking studies.
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- AIMS Allergy & Immunology, 2024, v. 8, n. 4, p. 1, doi. 10.3934/Allergy.2024019
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- Article
Anti-TMV activity of flavonol derivatives containing piperidine sulfonamide: Design, synthesis, mechanism study.
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- Arabian Journal of Chemistry, 2024, v. 17, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2024.105944
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- Publication type:
- Article
Formulation, characterization and evaluation of anti-breast cancer activity of 2-carene nanoemulsion; in silico, in vitro and in vivo study.
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- Arabian Journal of Chemistry, 2024, v. 17, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2024.105937
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- Article
Deciphering the healing power of Swertia Chirayita: A potential treatment for acute liver injury.
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- Arabian Journal of Chemistry, 2024, v. 17, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2024.105930
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- Publication type:
- Article
Rapid screening and isolation of potential xanthine oxidase inhibitors in Ganoderma lucidum.
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- Arabian Journal of Chemistry, 2024, v. 17, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2024.105925
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- Article
Exploring the therapeutic efficacy: Unveiling the active compounds of Huashi Baidu granules against COVID-19.
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- Arabian Journal of Chemistry, 2024, v. 17, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2024.105910
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- Publication type:
- Article
A novel trifluoromethyl quinoline derivative targeting SGK1 inducing autophagy and apoptosis via regulating mTOR/FOXO3a pathway in glioblastoma.
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- Arabian Journal of Chemistry, 2024, v. 17, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2024.105909
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- Publication type:
- Article
Synthesis of N, N-Bis([1,1′-Biphenyl]-4-ylmethyl)-4-morpholinoaniline derivatives via SMC reaction: Assessing their anti-seizure potential through electroencephalogram evaluation and molecular docking studies.
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- Arabian Journal of Chemistry, 2024, v. 17, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2024.105889
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- Article
Drug design of new anti-EBOV inhibitors: QSAR, homology modeling, molecular docking and molecular dynamics studies.
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- 2024
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- Publication type:
- Abstract
Isobavachalcone induces apoptosis of colorectal cancer cells mediated by interaction with survivin: Experimental and theoretical analyses.
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- Arabian Journal of Chemistry, 2024, v. 17, n. 9, p. N.PAG, doi. 10.1016/j.arabjc.2024.105861
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- Publication type:
- Article
Deciphering Saquinavir–Bovine Serum Albumin Interactions: Spectroscopic and Computational Insights.
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- Journal of Molecular Recognition, 2025, v. 38, n. 1, p. 1, doi. 10.1002/jmr.3112
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- Article
Ubiquitin‐Independent Degradation: An Emerging PROTAC Approach?
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- BioEssays, 2025, v. 47, n. 2, p. 1, doi. 10.1002/bies.202400161
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- Publication type:
- Article
Mapping growth differentiation factor-15 (GDF15)-mediated signaling pathways in cancer: insights into its role across different cancer types.
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- Discover Oncology, 2025, v. 16, n. 1, p. 1, doi. 10.1007/s12672-025-02121-1
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- Publication type:
- Article
Jian Pi Hua Tan Fang Reverses Trastuzumab Resistance of HER2‐Positive Gastric Cancer Through PI3K/AKT/mTOR Pathway: Integrating Network Pharmacology, Molecular Docking and Experimental Validation.
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- Immunity, Inflammation & Disease, 2025, v. 13, n. 2, p. 1, doi. 10.1002/iid3.70154
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- Publication type:
- Article
In silico docking analysis of bioactive compounds from Adansonia digitata L. against protein tyrosine phosphate.
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- AYU: An International Quarterly Journal of Research in Ayurveda, 2024, v. 45, n. 3, p. 153, doi. 10.4103/ayu.ayu_322_21
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- Article
Enantioselectivity of thyroid endocrine disruption caused by dinotefuran exposure in Xenopus laevis tadpoles.
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- Toxicological & Environmental Chemistry, 2025, v. 107, n. 1, p. 1, doi. 10.1080/02772248.2024.2436368
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- Publication type:
- Article
A Pharmacophore for Drugs Targeting the α4α4 Binding Site of the (α4)<sub>3</sub>(β2)<sub>2</sub> Nicotinic Acetylcholine Receptor.
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- Journal of Neurochemistry, 2025, v. 169, n. 2, p. 1, doi. 10.1111/jnc.70000
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- Publication type:
- Article
DFT-Based Quantum Mechanical and Molecular Docking Investigation of Synthesized Flavokawain B and Its Derivatives.
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- Journal of the Chemical Society of Pakistan, 2025, v. 47, n. 1, p. 19
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- Publication type:
- Article
Study on pharmacodynamic material basis and mechanism of anti-inflammatory effect of Tibetan medicine Gentiana lawrencei var. farreri based on UPLC-Q-TOF/MS combined with network pharmacology and molecular docking.
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- Arabian Journal of Chemistry, 2025, v. 18, n. 1, p. N.PAG, doi. 10.1016/j.arabjc.2024.106085
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- Publication type:
- Article
Effects of baicalein and fangchinoline on abemaciclib metabolism in vivo and in vitro and molecular docking analysis.
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- Arabian Journal of Chemistry, 2025, v. 18, n. 1, p. N.PAG, doi. 10.1016/j.arabjc.2024.106073
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- Publication type:
- Article
Synthesis, Characterization, in silico Molecular Docking and Antibacterial Properties of Some Tetrahydrobenzo[a]xanthene-11-ones.
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- Organic Preparations & Procedures International, 2024, v. 56, n. 4, p. 379, doi. 10.1080/00304948.2024.2327227
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- Article
A critical review on the bioaccumulation, transportation, and elimination of per- and polyfluoroalkyl substances in human beings.
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- Critical Reviews in Environmental Science & Technology, 2024, v. 54, n. 2, p. 95, doi. 10.1080/10643389.2023.2223118
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- Publication type:
- Article
Tanshinone IIA affects the proliferation of A549/Tax by affecting the expression of MMP7 through the PI3K-AKT-mTOR signaling pathway.
- Published in:
- Discover Oncology, 2025, v. 16, n. 1, p. 1, doi. 10.1007/s12672-025-02152-8
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- Publication type:
- Article
Citrus flavonoids for overcoming breast cancer resistance to methotrexate: identification of potential targets of nobiletin and sinensetin.
- Published in:
- Discover Oncology, 2025, v. 16, n. 1, p. 1, doi. 10.1007/s12672-025-02116-y
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- Publication type:
- Article
Anticancer (cytotoxic, anticlonogenic, antimetastatic, immunomodulatory actions) properties of 3,5‐dibromosalicylaldehyde against glioblastoma cells and DFT analyses (FT‐IR, Raman, NMR, UV) as well as a molecular docking study.
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- Biology of the Cell (Wiley-Blackwell), 2025, v. 117, n. 2, p. 1, doi. 10.1111/boc.202400138
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- Publication type:
- Article
Molecular Docking Studies of Novel Benzimidazole Macromolecules.
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- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400232
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- Article
Synthesis and In Silico Study of Silver Nanoparticles Composite with Novel Schiff Base.
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- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400234
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- Article
Benzimidazole Macromolecules from 2‐Mercaptobenzimidazole: Synthesis, Characterization, and Molecular Docking Studies.
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- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400233
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- Publication type:
- Article
Synthesis, Characterization, and Study of Biological, Laser, Nanoscale, Cancer, and Molecular Docking Activity of Tetrazole Compounds Derived from 1,3,4‐Oxadiazole.
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- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400219
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- Publication type:
- Article
Synthesis, Characterization, Study of Biological Activity, and Molecular Docking of Some Mannich Bases and their Coordination with Cadmium and Cobalt.
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- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400212
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- Publication type:
- Article
Synthesis, Characterization, and Computational Studies of Organoselenium Compounds for Bioactivity Assessment Against Pancreatic Ductal Adenocarcinoma.
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- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400177
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- Publication type:
- Article
Application of Angelica archangelica Phytomaterials as Inhibitors of SARS‐CoV‐2 Main Protease Receptor.
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- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400174
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- Publication type:
- Article
Design, Synthesis and Molecular Docking of New Thieno[2,3‑d]Pyrimidin‐4‐One Derivatives as Dual EGFR and FGFR Inhibitors.
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- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70061
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- Publication type:
- Article
Discovery of Hydrazine Clubbed Thiazoles as Potential Antidiabetic Agents: Synthesis, Biological Evaluation, and Molecular Docking Studies.
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- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70060
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- Publication type:
- Article
In Vitro and In Silico Assessment of Antileishmanial Potential of Novel Tri‐ and Penta‐Valent Antimony Complexes With Phenolic Ligands.
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- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70067
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- Publication type:
- Article
Design, Synthesis, Docking Studies, and Investigation of Dual EGFR/VEGFR‐2 Inhibitory Potentials of New Pyrazole and Pyrazolopyridine Derivatives.
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- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70056
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- Publication type:
- Article
Bioinformatics Exploration of the Therapeutic Potential of Lotus Seed Compounds in Multiple Sclerosis: A Network Analysis of c‐Jun Pathway.
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- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70038
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- Publication type:
- Article
Phthalazine Derivatives as VEGFR‐2 Inhibitors: Docking, ADMET, Synthesis, Design, Anticancer Evaluations, and Apoptosis Inducers.
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- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70037
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- Publication type:
- Article
Design, Synthesis, Biological Evaluation and Molecular Docking Study of New 1,3,4‐Thiadiazole‐Based Compounds as EGFR Inhibitors.
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- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70035
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- Publication type:
- Article
Persea americana leaf extract promotes wound healing by inhibiting NF-KB1.
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- Journal of Applied Pharmaceutical Science, 2025, v. 15, n. 3, p. 160, doi. 10.7324/JAPS.2025.218012
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- Publication type:
- Article
Synergistic Anxiolytic Effects of Linalool and Sesamol Co‐Treatment on Swiss Albino Mice: A Potential GABAergic Intervention.
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- Synapse, 2025, v. 79, n. 1, p. 1, doi. 10.1002/syn.70003
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- Publication type:
- Article
In Vitro Antibacterial Activity, In-Silico Molecular Docking and Pharmacokinetic Profile of a Phytosterol Isolated from The Leaves of Carissa Bispinosa.
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- Pharmacognosy Journal, 2025, v. 17, n. 1, p. 99, doi. 10.5530/pj.2025.17.14
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- Publication type:
- Article
Synthesis, DFT Calculations, and Molecular Docking Study of New Aggregation‐Induced Emission Lumiogens Based on Thieno[2,3‐d]pyrimidine Moiety.
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- Asian Journal of Organic Chemistry, 2025, v. 14, n. 3, p. 1, doi. 10.1002/ajoc.202400670
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- Publication type:
- Article
Glutathione Peroxidase‐Mimics Organoselenium Amines: Anti‐Ferroptotic Properties and an In Silico Study of 15‐Lipoxygenase‐2.
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- Asian Journal of Organic Chemistry, 2025, v. 14, n. 3, p. 1, doi. 10.1002/ajoc.202400606
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- Publication type:
- Article
In vitro and in vivo characterization of oridonin analogs as anti-inflammatory agents that regulate the NF-κB and NLRP3 inflammasome axis.
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- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1512740
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- Article
Identification of B-cell epitopes of Indian Zika virus strains using immunoinformatics.
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- Frontiers in Immunology, 2025, p. 1, doi. 10.3389/fimmu.2025.1534737
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- Article
Analysis of Bioactive Compounds Piper crocatum as Inhibitors of Acetylcholinesterase In Silico and In Vitro.
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- Trends in Sciences, 2025, v. 22, n. 4, p. 1, doi. 10.48048/tis.2025.9437
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- Publication type:
- Article
Bioinformatics Examination of Quercetin from Salacca zalacca Skin, Fruit, and Seed as a Potent Active Compounds Against Hypercholesterolemia Via PCSK9 Inhibition.
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- Trends in Sciences, 2025, v. 22, n. 4, p. 1, doi. 10.48048/tis.2025.9237
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- Publication type:
- Article
Antimalarial Potential of Ostruthin Isolated from Luvunga sarmentosa Root and Stem: In Vitro and In Silico Studies.
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- Trends in Sciences, 2025, v. 22, n. 3, p. 1, doi. 10.48048/tis.2025.9010
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- Publication type:
- Article
Gentiopicroside targeting AKT1 activates HIF-1α/VEGF axis promoting diabetic ulcer wound healing.
- Published in:
- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1506499
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- Publication type:
- Article