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Rapid discovery of natural skin‐lightening ingredients based on an integrated screening strategy based on molecular docking and zebrafish model.
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- Journal of Cosmetic Dermatology, 2024, v. 23, n. 11, p. 3724, doi. 10.1111/jocd.16439
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- Article
Exploring the interplay between Porphyromonas gingivalis KGP gingipain, herpes virus MicroRNA-6, and Icp4 transcript in periodontitis: Computational and clinical insights.
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- PLoS ONE, 2024, v. 19, n. 10, p. 1, doi. 10.1371/journal.pone.0312162
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- Article
Unraveling the Pharmacological Intricacies of Kurarinone in Osteoporosis: Insights from a Network Pharmacology Approach.
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- Pharmacognosy Magazine, 2024, v. 20, n. 4, p. 1350, doi. 10.1177/09731296241259563
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- Article
Comprehensive Profiling of Transcriptome and m6A Epitranscriptome Uncovers the Neurotoxic Effects of Yunaconitine on HT22 Cells.
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- Evolutionary Bioinformatics, 2024, p. 1, doi. 10.1177/11769343241290461
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- Article
Computational Investigation with Toxicophore Study of 1,2,3-Triazole Derivatives as an Effective Inhibitor Against Prostate Cancer.
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- Russian Journal of General Chemistry, 2024, v. 94, n. 9, p. 2445, doi. 10.1134/S1070363224090238
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- Article
Synthesis, Biological Evaluation, and Molecular Docking Studies of 7-Azaindole-Acylsulfonamide Derivatives as Mcl-1 Inhibitors.
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- Russian Journal of General Chemistry, 2024, v. 94, n. 9, p. 2438, doi. 10.1134/S1070363224090226
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- Article
[Et<sub>3</sub>NH][HSO<sub>4</sub>]-Catalyzed Synthesis of Chromenoquinoline-10,12(6H)-dione Derivatives via Mortar-Pestle Grinding Approach and Their Docking Studies.
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- Russian Journal of General Chemistry, 2024, v. 94, n. 9, p. 2331, doi. 10.1134/S1070363224090147
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- Article
In Vitro and In Silico Studies of Lawsone on Inflammation-Induced Skin Cells for Development of Skin Anti-Inflammatory Treatment.
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- Malaysian Applied Biology, 2024, v. 53, n. 3, p. 197, doi. 10.55230/mabjournal.v53i3.2801
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- Article
Transcriptomic data reveals an auxiliary detoxification mechanism that alleviates formaldehyde stress in Methylobacterium sp. XJLW.
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- BMC Genomics, 2024, v. 25, n. 1, p. 1, doi. 10.1186/s12864-024-10923-w
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- Article
E5-((3-phenoxyphenyl)diazenyl)quinolin-8-ol (PPDQ): A Novel Promising Anticorrosive for Mild Steel in Acid Media, and a Pharmacologically Potent Antidiabetic, Antioxidant Azo Dye.
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- Orbital: The Electronic Journal of Chemistry, 2024, v. 16, n. 3, p. 198, doi. 10.17807/orbital.v16i3.21006
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SYNTHESIS, CHARACTERIZATION, AND INITIAL PHARMACOLOGICAL ASSESSMENT OF NEW NAPROXEN WITH 1,3,4-THIADIAZOL-2-AMINE DERIVATIVES.
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- Gomal Journal of Medical Sciences, 2024, v. 22, n. 3, p. 252, doi. 10.46903/gjms/22.03.1675
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- Article
Combination of Diosmetin With Chrysin Against Hepatocellular Carcinoma Through Inhibiting PI3K/AKT/mTOR/NF‐кB Signaling Pathway: TCGA Analysis, Molecular Docking, Molecular Dynamics, In Vitro Experiment.
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- Chemical Biology & Drug Design, 2024, v. 104, n. 4, p. 1, doi. 10.1111/cbdd.70003
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- Article
Novel Synthesized Benzophenone Thiazole Hybrids Exhibited Ex Vivo and In Silico Anti‐Inflammatory Activity.
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- Chemical Biology & Drug Design, 2024, v. 104, n. 4, p. 1, doi. 10.1111/cbdd.14634
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- Article
Design, structural and theoretical characterizations of novel Schiff base compounds: Enzymes inhibitory potential using in vitro and in silico methods.
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- Indian Journal of Chemical Technology, 2024, v. 31, n. 1, p. 105, doi. 10.56042/ijct.v31i1.7607
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- Article
Surface plasmon resonance, molecular docking, and molecular dynamics simulation studies of lysozyme interaction with tannic acid.
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- Food Science & Nutrition, 2024, v. 12, n. 10, p. 7392, doi. 10.1002/fsn3.4315
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- Article
Synthesis of Tetrahydrocarbazole-Tethered Triazoles as Compounds Targeting Telomerase in Human Breast Cancer Cells.
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- Catalysts (2073-4344), 2024, v. 14, n. 10, p. 726, doi. 10.3390/catal14100726
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- Article
A combined application of molecular docking technology and indirect ELISA for the serodiagnosis of bovine tuberculosis.
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- Journal of Veterinary Science, 2022, v. 23, n. 3, p. 1, doi. 10.4142/jvs.21270
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- Article
Synthesis and Characterization of a Novel Inhibitor of C-Reactive Protein-Mediated Proinflammatory Effects.
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- Metabolic Syndrome & Related Disorders, 2013, v. 11, n. 3, p. 177, doi. 10.1089/met.2012.0123
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- Article
Marein Alleviates Doxorubicin-Induced Cardiotoxicity through FAK/AKT Pathway Modulation while Potentiating its Anticancer Activity.
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- Cardiovascular Toxicology, 2024, v. 24, n. 8, p. 818, doi. 10.1007/s12012-024-09882-1
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- Article
The Molecular Mechanism of Radix Paeoniae Rubra.-Cortex Moutan. Herb Pair in the Treatment of Atherosclerosis: A Work Based on Network Pharmacology and In Vitro Experiments.
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- Cardiovascular Toxicology, 2024, v. 24, n. 8, p. 800, doi. 10.1007/s12012-024-09881-2
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- Article
Simultaneous Exposure to Noise and Toluene Induces Oxidative and Inflammatory Damage in the Heart of Wistar Rats: Therapeutic Potential of Olea europaea L. Leaf Extract.
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- Cardiovascular Toxicology, 2024, v. 24, n. 7, p. 667, doi. 10.1007/s12012-024-09867-0
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- Article
Correction: Uncovering the Mechanism of Chinese Hawthorn Leaf on Myocardial Ischemia Based on Network Pharmacology, Molecular Docking Verification, and In Vitro Studies.
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- 2024
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- Correction Notice
Uncovering the Mechanism of Chinese Hawthorn Leaf on Myocardial Ischemia Based on Network Pharmacology, Molecular Docking Verification, and In Vitro Studies.
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- Cardiovascular Toxicology, 2024, v. 24, n. 2, p. 171, doi. 10.1007/s12012-024-09825-w
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- Article
Cardioprotective Effects of Oroxylum indicum Extract Against Doxorubicin and Cyclophosphamide-Induced Cardiotoxicity.
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- Cardiovascular Toxicology, 2022, v. 22, n. 1, p. 67, doi. 10.1007/s12012-021-09701-x
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- Article
An efficient high‐speed counter‐current chromatography method for the preparative separation of sesquiterpenoids from the rhizomes of Cyperus rotundus L. combined with evaluation of the anti‐inflammation activity in vitro and molecular docking
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- Journal of Separation Science, 2023, v. 46, n. 10, p. 1, doi. 10.1002/jssc.202300042
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- Article
An integrated approach of high‐performance liquid chromatography–mass spectrometry‐based chemical profiling, network pharmacology, and molecular docking to reveal the potential mechanisms of Qishen Gubiao granules for treating coronavirus disease 2019
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- Journal of Separation Science, 2023, v. 46, n. 10, p. 1, doi. 10.1002/jssc.202200953
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- Article
Discovery of the potential neuraminidase inhibitors from Polygonum cuspidatum by ultrafiltration combined with mass spectrometry guided by molecular docking.
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- Journal of Separation Science, 2023, v. 46, n. 10, p. 1, doi. 10.1002/jssc.202200937
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- Article
Identification and quantification of nine compounds in Fangwen Jiuwei decoction by liquid chromatography–mass spectrometry.
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- Journal of Separation Science, 2023, v. 46, n. 9, p. 1, doi. 10.1002/jssc.202200824
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- Article
Chiral covalent organic framework incorporated organic polymer monolithic capillary column for enantioseparations.
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- Journal of Separation Science, 2023, v. 46, n. 8, p. 1, doi. 10.1002/jssc.202201039
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- Article
Combination of ultra‐performance liquid chromatography‐quadrupole time‐of‐flight mass spectrometry and network pharmacology to reveal the mechanism of Shengyu Decoction for treating anemia.
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- Journal of Separation Science, 2023, v. 46, n. 3, p. 1, doi. 10.1002/jssc.202200678
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Metabolomics and network pharmacological analysis to explore the mechanism of ginseng treatment for spleen‐qi deficiency.
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- Journal of Separation Science, 2022, v. 45, n. 24, p. 4427, doi. 10.1002/jssc.202200457
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- Article
Preparative isolation of antioxidative furanocoumarins from Dracocephalum heterophyllum and their potential action target.
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- Journal of Separation Science, 2022, v. 45, n. 24, p. 4375, doi. 10.1002/jssc.202200309
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- Article
An integrated strategy to reveal the potential anti‐asthma mechanism of peimine by metabolite profiling, network pharmacology, and molecular docking.
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- Journal of Separation Science, 2022, v. 45, n. 15, p. 2819, doi. 10.1002/jssc.202200128
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- Article
An efficient high‐speed counter‐current chromatography method for the preparative separation of potential antioxidants from Paeonia lactiflora Pall. combination of in vitro evaluation and molecular docking.
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- Journal of Separation Science, 2022, v. 45, n. 11, p. 1856, doi. 10.1002/jssc.202200082
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- Article
An efficient strategy based on two‐stage chromatography and in vitro evaluation for rapid screening and isolation of acetylcholinesterase inhibitors from Scutellaria baicalensis Georgi.
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- Journal of Separation Science, 2022, v. 45, n. 6, p. 1170, doi. 10.1002/jssc.202100918
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- Article
Liquid chromatography–mass spectrometry in‐depth analysis and in silico verification of the potential active ingredients of Baihe Dihuang decoction in vivo and in vitro.
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- Journal of Separation Science, 2021, v. 44, n. 21, p. 3933, doi. 10.1002/jssc.202100434
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- Article
Identification of ligands from natural products as inhibitors of glutathione S‐transferases using enzyme immobilized mesoporous magnetic beads with high‐performance liquid chromatography plus quadrupole time‐of‐flight mass spectrometry and molecular docking
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- Journal of Separation Science, 2019, v. 42, n. 24, p. 3611, doi. 10.1002/jssc.201900318
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- Article
Structure–property relationship study of the HPLC enantioselective retention of neuroprotective 7‐[(1‐alkylpiperidin‐3‐yl)methoxy]coumarin derivatives on an amylose‐based chiral stationary phase.
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- Journal of Separation Science, 2018, v. 41, n. 6, p. 1376, doi. 10.1002/jssc.201701442
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- Article
Bioactive compounds of Shuang-Huang-Lian prescription and an insight into its binding mechanism by β<sub>2</sub>-adrenoceptor chromatography coupled with site-directed molecular docking.
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- Journal of Separation Science, 2017, v. 40, n. 22, p. 4357, doi. 10.1002/jssc.201700522
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- Article
Trypsin inhibitor screening in traditional Chinese medicine by using an immobilized enzyme microreactor in capillary and molecular docking study.
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- Journal of Separation Science, 2017, v. 40, n. 15, p. 3168, doi. 10.1002/jssc.201700419
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- Article
Bioassay-guided isolation of an active compound with protein tyrosine phosphatase 1B inhibitory activity from Sargassum fusiforme by high-speed counter-current chromatography.
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- Journal of Separation Science, 2016, v. 39, n. 22, p. 4408, doi. 10.1002/jssc.201600691
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- Article
Screening epidermal growth factor receptor antagonists from Radix et Rhizoma Asari by two-dimensional liquid chromatography.
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- Journal of Separation Science, 2014, v. 37, n. 13, p. 1525, doi. 10.1002/jssc.201400236
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- Article
Unexpected Reactions of α,β‐Unsaturated Fatty Acids Provide Insight into the Mechanisms of CYP152 Peroxygenases.
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- Angewandte Chemie, 2021, v. 133, n. 46, p. 24899, doi. 10.1002/ange.202111163
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- Article
Defect‐Assisted Loading and Docking Conformations of Pharmaceuticals in Metal–Organic Frameworks.
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- Angewandte Chemie, 2021, v. 133, n. 14, p. 7798, doi. 10.1002/ange.202010231
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- Article
Unlocking the Water Trimer Loop: Isotopic Study of Benzophenone‐(H<sub>2</sub>O)<sub>1–3</sub> Clusters with Rotational Spectroscopy.
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- Angewandte Chemie, 2021, v. 133, n. 10, p. 5383, doi. 10.1002/ange.202013899
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- Article
Innenrücktitelbild: Docking of Cu<sup>I</sup> and Ag<sup>I</sup> in Metal–Organic Frameworks for Adsorption and Separation of Xenon (Angew. Chem. 7/2021).
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- Angewandte Chemie, 2021, v. 133, n. 7, p. 3867, doi. 10.1002/ange.202016907
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- Article
On the Binding of Congo Red to Amyloid Fibrils.
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- Angewandte Chemie, 2020, v. 132, n. 21, p. 8181, doi. 10.1002/ange.201916630
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- Article
Mitochondrial‐DNA‐Targeted Ir<sup>III</sup>‐Containing Metallohelices with Tunable Photodynamic Therapy Efficacy in Cancer Cells.
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- Angewandte Chemie, 2020, v. 132, n. 16, p. 6482, doi. 10.1002/ange.201915281
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- Article
Exceeding Metal Capacity in Sandwich Complexes: Ligand‐Unsupported Docking of Extra Metal Moieties at Edges of a Metal Sheet Sandwich Complex.
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- Angewandte Chemie, 2019, v. 131, n. 43, p. 15462, doi. 10.1002/ange.201908850
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- Article
Molecular and Structural Characterization of a Promiscuous C‐Glycosyltransferase from Trollius chinensis.
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- Angewandte Chemie, 2019, v. 131, n. 33, p. 11637, doi. 10.1002/ange.201905505
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- Article