Works matching DE "MOLECULAR docking"
Results: 5000
Enantioselectivity of thyroid endocrine disruption caused by dinotefuran exposure in Xenopus laevis tadpoles.
- Published in:
- Toxicological & Environmental Chemistry, 2025, v. 107, n. 1, p. 1, doi. 10.1080/02772248.2024.2436368
- By:
- 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.
- Published in:
- Arabian Journal of Chemistry, 2025, v. 18, n. 1, p. N.PAG, doi. 10.1016/j.arabjc.2024.106085
- By:
- Publication type:
- Article
Effects of baicalein and fangchinoline on abemaciclib metabolism in vivo and in vitro and molecular docking analysis.
- Published in:
- Arabian Journal of Chemistry, 2025, v. 18, n. 1, p. N.PAG, doi. 10.1016/j.arabjc.2024.106073
- By:
- Publication type:
- Article
Synthesis, Characterization, in silico Molecular Docking and Antibacterial Properties of Some Tetrahydrobenzo[a]xanthene-11-ones.
- Published in:
- Organic Preparations & Procedures International, 2024, v. 56, n. 4, p. 379, doi. 10.1080/00304948.2024.2327227
- By:
- Publication type:
- Article
A critical review on the bioaccumulation, transportation, and elimination of per- and polyfluoroalkyl substances in human beings.
- Published in:
- Critical Reviews in Environmental Science & Technology, 2024, v. 54, n. 2, p. 95, doi. 10.1080/10643389.2023.2223118
- By:
- 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
- By:
- 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
- By:
- 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.
- Published in:
- Biology of the Cell (Wiley-Blackwell), 2025, v. 117, n. 2, p. 1, doi. 10.1111/boc.202400138
- By:
- Publication type:
- Article
Molecular Docking Studies of Novel Benzimidazole Macromolecules.
- Published in:
- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400232
- By:
- Publication type:
- Article
Synthesis and In Silico Study of Silver Nanoparticles Composite with Novel Schiff Base.
- Published in:
- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400234
- By:
- Publication type:
- Article
Benzimidazole Macromolecules from 2‐Mercaptobenzimidazole: Synthesis, Characterization, and Molecular Docking Studies.
- Published in:
- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400233
- By:
- 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.
- Published in:
- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400219
- By:
- Publication type:
- Article
Synthesis, Characterization, Study of Biological Activity, and Molecular Docking of Some Mannich Bases and their Coordination with Cadmium and Cobalt.
- Published in:
- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400212
- By:
- Publication type:
- Article
Synthesis, Characterization, and Computational Studies of Organoselenium Compounds for Bioactivity Assessment Against Pancreatic Ductal Adenocarcinoma.
- Published in:
- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400177
- By:
- Publication type:
- Article
Application of Angelica archangelica Phytomaterials as Inhibitors of SARS‐CoV‐2 Main Protease Receptor.
- Published in:
- Macromolecular Symposia, 2025, v. 414, n. 1, p. 1, doi. 10.1002/masy.202400174
- By:
- Publication type:
- Article
Design, Synthesis and Molecular Docking of New Thieno[2,3‑d]Pyrimidin‐4‐One Derivatives as Dual EGFR and FGFR Inhibitors.
- Published in:
- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70061
- By:
- Publication type:
- Article
Discovery of Hydrazine Clubbed Thiazoles as Potential Antidiabetic Agents: Synthesis, Biological Evaluation, and Molecular Docking Studies.
- Published in:
- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70060
- By:
- Publication type:
- Article
In Vitro and In Silico Assessment of Antileishmanial Potential of Novel Tri‐ and Penta‐Valent Antimony Complexes With Phenolic Ligands.
- Published in:
- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70067
- By:
- Publication type:
- Article
Design, Synthesis, Docking Studies, and Investigation of Dual EGFR/VEGFR‐2 Inhibitory Potentials of New Pyrazole and Pyrazolopyridine Derivatives.
- Published in:
- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70056
- By:
- Publication type:
- Article
Bioinformatics Exploration of the Therapeutic Potential of Lotus Seed Compounds in Multiple Sclerosis: A Network Analysis of c‐Jun Pathway.
- Published in:
- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70038
- By:
- Publication type:
- Article
Phthalazine Derivatives as VEGFR‐2 Inhibitors: Docking, ADMET, Synthesis, Design, Anticancer Evaluations, and Apoptosis Inducers.
- Published in:
- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70037
- By:
- Publication type:
- Article
Design, Synthesis, Biological Evaluation and Molecular Docking Study of New 1,3,4‐Thiadiazole‐Based Compounds as EGFR Inhibitors.
- Published in:
- Drug Development Research, 2025, v. 86, n. 1, p. 1, doi. 10.1002/ddr.70035
- By:
- Publication type:
- Article
Persea americana leaf extract promotes wound healing by inhibiting NF-KB1.
- Published in:
- Journal of Applied Pharmaceutical Science, 2025, v. 15, n. 3, p. 160, doi. 10.7324/JAPS.2025.218012
- By:
- Publication type:
- Article
Synergistic Anxiolytic Effects of Linalool and Sesamol Co‐Treatment on Swiss Albino Mice: A Potential GABAergic Intervention.
- Published in:
- Synapse, 2025, v. 79, n. 1, p. 1, doi. 10.1002/syn.70003
- By:
- Publication type:
- Article
n-Hexane Extract of Leptastrea purpurea: In Vitro and In Silico Antioxidant Activity.
- Published in:
- Tropical Journal of Natural Product Research, 2025, v. 9, n. 2, p. 716, doi. 10.26538/tjnpr/v9i2.39
- By:
- Publication type:
- Article
Discovering the Potential Mechanisms of Canna indica Leaves Ethanolic Extract against Plasmodium falciparum Malaria: Network Pharmacology and Molecular Docking Approach.
- Published in:
- Tropical Journal of Natural Product Research, 2025, v. 9, n. 2, p. 702, doi. 10.26538/tjnpr/v9i2.37
- By:
- Publication type:
- Article
In Vitro and in Silico Analysis of Antilipase, Antioxidant, and Optimization of Granule Effervescent from Peronema canescens Jack.
- Published in:
- Tropical Journal of Natural Product Research, 2025, v. 9, n. 2, p. 545, doi. 10.26538/tjnpr/v9i2.19
- By:
- Publication type:
- Article
In Silico Prediction of Anti-Inflammatory Potential of Isolated Compounds from Enhalus acoroides.
- Published in:
- Tropical Journal of Natural Product Research, 2025, v. 9, n. 2, p. 439, doi. 10.26538/tjnpr/v9i2.4
- By:
- Publication type:
- Article
SYNTHESIS, ANTICANCER PROPERTIES EVALUATION AND IN SILICO STUDIES OF 2-CHLORO- AND 2,2-DICHLOROACETAMIDES BEARING THIAZOLE SCAFFOLDS.
- Published in:
- ScienceRise: Pharmaceutical Science, 2025, v. 53, n. 1, p. 71, doi. 10.15587/2519-4852.2025.323594
- By:
- Publication type:
- Article
DESIGN, SYNTHESIS, MOLECULAR DOCKING, AND ANTIOXIDANT PROPERTIES OF A SERIES OF NEW S-DERIVATIVES OF ((1,2,4-TRIAZOL-3(2H)-YL)METHYL) THIOPYRIMIDINES.
- Published in:
- ScienceRise: Pharmaceutical Science, 2025, v. 53, n. 1, p. 62, doi. 10.15587/2519-4852.2025.312075
- By:
- Publication type:
- Article
SYNTHESIS, ANTICANCER PROPERTIES EVALUATION AND IN SILICO STUDIES OF 2-CHLORO- AND 2,2-DICHLOROACETAMIDES BEARING THIAZOLE SCAFFOLDS.
- Published in:
- 2025
- By:
- Publication type:
- Abstract
DESIGN, SYNTHESIS, MOLECULAR DOCKING, AND ANTIOXIDANT PROPERTIES OF A SERIES OF NEW S-DERIVATIVES OF ((1,2,4-TRIAZOL-3(2H)-YL)METHYL)THIOPYRIMIDINES.
- Published in:
- 2025
- By:
- Publication type:
- Abstract
Exploring manzamine a: a promising anti-lung cancer agent from marine sponge Haliclona sp.
- Published in:
- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1525210
- By:
- Publication type:
- Article
Network pharmacology combined with molecular docking and experimental validation of the mechanism of action of columbianetin acetate in the treatment of ovarian cancer.
- Published in:
- Frontiers in Oncology, 2025, p. 1, doi. 10.3389/fonc.2025.1515976
- By:
- Publication type:
- Article
Identification of lipid metabolism related immune markers in atherosclerosis through machine learning and experimental analysis.
- Published in:
- Frontiers in Immunology, 2025, p. 1, doi. 10.3389/fimmu.2025.1549150
- By:
- Publication type:
- Article
Antiproliferative Activity and Apoptotic Mechanisms of β-Sitosterol and Its Derivatives as Anti-Breast Cancer Agents: In Silico and In Vitro.
- Published in:
- Journal of Experimental Pharmacology, 2025, v. 17, p. 107, doi. 10.2147/JEP.S496986
- By:
- Publication type:
- Article
Exploration of naphthalenone-thiazole hybrids for TNF-α, COX-2 inhibition and anti-oxidant capability.
- Published in:
- Research on Chemical Intermediates, 2025, v. 51, n. 3, p. 1609, doi. 10.1007/s11164-025-05513-8
- By:
- Publication type:
- Article
Synthesis and antitumor evaluation of amino acid conjugates of monocarbonyl curcumin in hepatocellular carcinoma cell.
- Published in:
- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-93451-1
- By:
- Publication type:
- Article
Poly-γ-glutamic acid alleviates slow transit constipation by regulating aquaporin and gut microbes.
- Published in:
- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-92783-2
- By:
- Publication type:
- Article
Spectroscopic and molecular docking studies on binding interactions of camptothecin drugs with bovine serum albumin.
- Published in:
- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-92607-3
- By:
- Publication type:
- Article
Investigating the PI3K/AKT/mTOR axis in Buzhong Yiqi Decoction's anti-colorectal cancer activity.
- Published in:
- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-89018-9
- By:
- Publication type:
- Article
SYNTHESIS, MOLECULAR DOCKING AND BIOLOGICAL EVALUATION OF STEROIDAL cytotoxic AGENTS.
- Published in:
- Indian Drugs, 2025, v. 62, n. 1, p. 18, doi. 10.53879/id.62.01.14996
- By:
- Publication type:
- Article
SYNTHESIS OF (-) - 6,6'-DINITROHINOKININ FROM HINOKININ NATURAL PRODUCT AND in silico AND in vitro TRYPANOCIDAL ACTIVITY ASSESSMENT.
- Published in:
- Bioscience Journal, 2024, v. 40, p. 1, doi. 10.14393/BJ-v40n0a2024-69502
- By:
- Publication type:
- Article
Understanding the adsorption mechanism of geosmin, linalool, and o-cresol on Machilis hrabei olfactory receptor MhOR5 via statistical physics modeling and molecular docking simulation.
- Published in:
- Journal of Molecular Modeling, 2025, v. 31, n. 3, p. 1, doi. 10.1007/s00894-025-06327-6
- By:
- Publication type:
- Article
Theoretical study of the formation of inclusion complexes with some terpenes using different solvating models.
- Published in:
- Journal of Molecular Modeling, 2025, v. 31, n. 3, p. 1, doi. 10.1007/s00894-025-06316-9
- By:
- Publication type:
- Article
Ascorbic acid exhibits more of a protective effect than estradiol against nephrotoxicity induced by malathion in rats: a histopathological and molecular docking study.
- Published in:
- Turkish Journal of Medical Sciences, 2025, v. 55, n. 1, p. 337, doi. 10.55730/1300-0144.5974
- By:
- Publication type:
- Article
LC-MS analysis and antioxidant, antibacterial, and antidiabetic activity of Jumli Marshi rice from Nepal: An in vitro and in silico investigation to validate their potential as a functional food.
- Published in:
- PLoS ONE, 2025, v. 20, n. 3, p. 1, doi. 10.1371/journal.pone.0319338
- By:
- Publication type:
- Article
Development of a multi-epitope vaccine against Acinetobacter baumannii: A comprehensive approach to combating antimicrobial resistance.
- Published in:
- PLoS ONE, 2025, v. 20, n. 3, p. 1, doi. 10.1371/journal.pone.0319191
- By:
- Publication type:
- Article
Synthesis, antibacterial activity, in silico ADMET prediction, docking, and molecular dynamics studies of substituted phenyl and furan ring containing thiazole Schiff base derivatives.
- Published in:
- PLoS ONE, 2025, v. 20, n. 3, p. 1, doi. 10.1371/journal.pone.0318999
- By:
- Publication type:
- Article
Synthesis, characterization, antibacterial properties and in silico molecular docking of binuclear copper(II) complexes with planar aromatic derivatives of aroyl hydrazine ligands.
- Published in:
- Journal of the Iranian Chemical Society, 2025, v. 22, n. 3, p. 641, doi. 10.1007/s13738-025-03176-1
- By:
- Publication type:
- Article