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Chemical Constituents, Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of n -Hexane Extract and Essential Oil of Guava Leaves.
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- Molecules, 2022, v. 27, n. 24, p. 8979, doi. 10.3390/molecules27248979
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- Article
In Silico Approach Using Free Software to Optimize the Antiproliferative Activity and Predict the Potential Mechanism of Action of Pyrrolizine-Based Schiff Bases.
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- Molecules, 2021, v. 26, n. 13, p. 4002, doi. 10.3390/molecules26134002
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- Article
In Vivo and In Silico Investigation of the Anti-Obesity Effects of Lactiplantibacillus plantarum Combined with Chia Seeds, Green Tea, and Chitosan in Alleviating Hyperlipidemia and Inflammation.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 20, p. 12200, doi. 10.3390/ijms232012200
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- Article
Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 13, p. 6912, doi. 10.3390/ijms23136912
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- Article
Phthalimide‐tethered isatins as novel poly(ADP‐ribose) polymerase inhibitors: Design, synthesis, biological evaluations, and molecular modeling investigations.
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- Archiv der Pharmazie, 2024, v. 357, n. 3, p. 1, doi. 10.1002/ardp.202300599
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- Article
Novel hydrazone‐isatin derivatives as potential EGFR inhibitors: Synthesis and in vitro pharmacological profiling.
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- Archiv der Pharmazie, 2023, v. 356, n. 9, p. 1, doi. 10.1002/ardp.202300244
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- Article
Unexpected Synthesis, Single-Crystal X-ray Structure, Anticancer Activity, and Molecular Docking Studies of Certain 2–((Imidazole/Benzimidazol–2–yl)thio)–1–arylethanones.
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- Crystals (2073-4352), 2020, v. 10, n. 6, p. 446, doi. 10.3390/cryst10060446
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In vitro biological evaluation and in silico insights into the antiviral activity of standardized olive leaves extract against SARS-CoV-2.
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- PLoS ONE, 2024, v. 19, n. 4, p. 1, doi. 10.1371/journal.pone.0301086
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DFT and molecular simulation validation of the binding activity of PDEδ inhibitors for repression of oncogenic k-Ras.
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- PLoS ONE, 2024, v. 19, n. 3, p. 1, doi. 10.1371/journal.pone.0300035
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- Article
Comparative Metabolic Study of Tamarindus indica L.'s Various Organs Based on GC/MS Analysis, In Silico and In Vitro Anti-Inflammatory and Wound Healing Activities.
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- Plants (2223-7747), 2023, v. 12, n. 1, p. 87, doi. 10.3390/plants12010087
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- Article
GC/MS Profiling, Anti-Collagenase, Anti-Elastase, Anti-Tyrosinase and Anti-Hyaluronidase Activities of a Stenocarpus sinuatus Leaves Extract.
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- Plants (2223-7747), 2022, v. 11, n. 7, p. 918, doi. 10.3390/plants11070918
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- Article
Toward the Identification of Potential α-Ketoamide Covalent Inhibitors for SARS-CoV-2 Main Protease: Fragment-Based Drug Design and MM-PBSA Calculations.
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- Processes, 2021, v. 9, n. 6, p. 1004, doi. 10.3390/pr9061004
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- Article
1-Benzyl-5-bromo-3-hydrazonoindolin-2-ones as Novel Anticancer Agents: Synthesis, Biological Evaluation and Molecular Modeling Insights.
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- Molecules, 2023, v. 28, n. 7, p. 3203, doi. 10.3390/molecules28073203
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- Article
Synergistic Effect of Sophora japonica and Glycyrrhiza glabra Flavonoid-Rich Fractions on Wound Healing: In Vivo and Molecular Docking Studies.
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- Molecules, 2023, v. 28, n. 7, p. 2994, doi. 10.3390/molecules28072994
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- Article
GC/MS Profiling of the Essential Oil and Lipophilic Extract of Moricandia sinaica Boiss. and Evaluation of Their Cytotoxic and Antioxidant Activities.
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- Molecules, 2023, v. 28, n. 5, p. 2193, doi. 10.3390/molecules28052193
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- Article
Olive Leaves as a Potential Phytotherapy in the Treatment of COVID-19 Disease; A Mini-Review.
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- Frontiers in Pharmacology, 2022, v. 13, p. 1, doi. 10.3389/fphar.2022.879118
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- Article
Design, synthesis, in vitro biological assessment and molecular modeling insights for novel 3-(naphthalen-1-yl)-4,5-dihydropyrazoles as anticancer agents with potential EGFR inhibitory activity.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-15050-8
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- Article
The Antioxidant and Enzyme Inhibitory Potential of n -Hexane-Extracted Oils Obtained from Three Egyptian Cultivars of the Golden Dewdrop Duranta erecta Linn. Supported by Their GC-MS Metabolome Analysis and Docking Studies.
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- Antioxidants, 2022, v. 11, n. 10, p. N.PAG, doi. 10.3390/antiox11101937
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Identification of Novel Cyanopyridones and Pyrido[2,3- D ]Pyrimidines as Anticancer Agents with Dual VEGFR-2/HER-2 Inhibitory Action: Synthesis, Biological Evaluation and Molecular Docking Studies.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 10, p. 1262, doi. 10.3390/ph15101262
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Computational Prediction of the Potential Target of SARS‐CoV‐2 Inhibitor Plitidepsin via Molecular Docking, Dynamic Simulations and MM‐PBSA Calculations.
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- Chemistry & Biodiversity, 2022, v. 19, n. 2, p. 1, doi. 10.1002/cbdv.202100719
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Synergistic antiviral activity of Lactobacillus acidophilus and Glycyrrhiza glabra against Herpes Simplex-1 Virus (HSV-1) and Vesicular Stomatitis Virus (VSV): experimental and In Silico insights.
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- BMC Microbiology, 2023, v. 23, n. 1, p. 1, doi. 10.1186/s12866-023-02911-z
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- Article