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97 resultados encontrados.

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Molecular docking of polyphenols and screening of antioxidant and anticancer activity of Artemisia monosperma leaf extracts in human cancer cells
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Molecular docking of polyphenols and screening of antioxidant and anticancer activity of Artemisia monosperma leaf extracts in human cancer cells
Mosaad A. Abdel-Wahhab et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract This study evaluated the polyphenol content of leaf extracts from Artemisia monosperma (AM) and investigated their antioxidant properties, cytotoxic effects, and potential to induce DNA damage in human cancer ce...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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Molecular docking of noni fruit extract (M. citrifolia L.) active compound as a radiation protection agent: a bioinformatic approach
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Molecular docking of noni fruit extract (M. citrifolia L.) active compound as a radiation protection agent: a bioinformatic approach
Deny Saputra et al · faculty of dentistry universitas gadjah mada · 2024 · ISSN 2460-0164
Noni fruit (M. citrifolia L.) is a medicinal plant known for its antioxidant bioactive compounds, which have potential use as radiation protection agents. Despite their traditional use, the specific bioactive compounds a...
LCC TENDOkRlbnRpc3RyeQ~~Idioma eng
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Development of hesperidin loaded lipid-chitosan nanoparticles: physicochemical characterization, molecular docking and ex vivo study
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Development of hesperidin loaded lipid-chitosan nanoparticles: physicochemical characterization, molecular docking and ex vivo study
Sadaf Jamal Gilani et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract Hesperidin (HSP) is a bioactive flavonoid, and its activity is limited due to poor water solubility. We designed this research to develop and evaluate hesperidin nanoparticles (HSPNPs) to enhance drug release an...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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Integrated computational analysis of Garcinia kola phytochemicals as acetylcholinesterase inhibitors: molecular docking, molecular dynamics simulations, and DFT studies
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Integrated computational analysis of Garcinia kola phytochemicals as acetylcholinesterase inhibitors: molecular docking, molecular dynamics simulations, and DFT studies
Onyekachi Onyekwere et al · Elsevier · 2026 · ISSN 3050-7871
Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by cholinergic dysfunction, making acetylcholinesterase (AChE) a key therapeutic target. Although Garcinia kola has been widely reported ...
LCC TENDOkNvbXB1dGVyIGFwcGxpY2F0aW9ucyB0byBtZWRpY2luZS4gTWVkaWNhbCBpbmZvcm1hdGljcw~~Idioma eng
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Network Pharmacology, Molecular Docking and Dynamics Simulation Reveal the Anti-Colitis Mechanism of Smilax glabra Roxb.
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Network Pharmacology, Molecular Docking and Dynamics Simulation Reveal the Anti-Colitis Mechanism of Smilax glabra Roxb.
Cui Y et al · Dove Medical Press · 2026 · ISSN 1178-7023
Yuan Cui,1,2 Jingyi Hu,1 Yanan Li,1 Yiheng Tong,1 Hong Shen1 1Department of Gastroenterology, Jiangsu Province Hospital of Chinese Medicine, Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing, 210001,...
LCC LCC:Diseases of the digestive system. GastroenterologyIdioma eng
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Network pharmacology, pathway enrichment, and molecular docking analysis reveal the multi target therapeutic potential of phytochemicals from Eleusine coracana
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Network pharmacology, pathway enrichment, and molecular docking analysis reveal the multi target therapeutic potential of phytochemicals from Eleusine coracana
Amisha Bisht et al · Springer · 2026 · ISSN 3005-1193
Abstract Eleusine coracana (L.) Gaertn., commonly known as Ragi or finger millet, is a nutrient-rich cereal traditionally valued for its health-promoting properties. However, its precise molecular mechanisms and therapeu...
LCC TENDOkNoZW1pc3RyeQ~~Idioma eng
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Phytochemical-mediated green synthesis of selenium nanoparticles using Catharanthus roseus and their physicochemical characterization, biological evaluation, and molecular docking analysis
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Phytochemical-mediated green synthesis of selenium nanoparticles using Catharanthus roseus and their physicochemical characterization, biological evaluation, and molecular docking analysis
Abeer F. Desouky et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract This study reports the green biosynthesis of bioactive selenium nanoparticles using Catharanthus roseus extract as a reducing and stabilizing agent. Liquid chromatography–electrospray ionization tandem mass sp...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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Sustainable synthesis of MgO nanoparticles from Persea americana for cultivar dependent nanostructure, environmental remediation and bioactivity supported by molecular docking
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Sustainable synthesis of MgO nanoparticles from Persea americana for cultivar dependent nanostructure, environmental remediation and bioactivity supported by molecular docking
Beyza Nur Badilli et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract This study reports the sustainable green synthesis of magnesium oxide nanoparticles (MgONPs) using peel extracts from two avocado cultivars, Persea americana Mill. Hass and Fuerte, and demonstrates the strong in...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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Aspergillus flavus glutathione transferase as a potential approach for synthesis of epothilone-glutathione conjugates with enhanced anticancer activity for the drug-resistant cells: characterization and molecular docking analysis
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Aspergillus flavus glutathione transferase as a potential approach for synthesis of epothilone-glutathione conjugates with enhanced anticancer activity for the drug-resistant cells: characterization and molecular docking analysis
Ashraf S. A. El-Sayed et al · BMC · 2026 · ISSN 1471-2180
Abstract Epothilone is one of the lead anticancer compounds, with unique binding affinity to the cellular β-tubulin, however, the solubility and efficiency towards the drug-resistant tumors are the challenges. Glutathio...
LCC TENDOk1pY3JvYmlvbG9neQ~~Idioma eng
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Exploring the roles of Polygonati Rhizoma in delaying skin aging using network pharmacology and molecular docking
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Exploring the roles of Polygonati Rhizoma in delaying skin aging using network pharmacology and molecular docking
Xilong Wang et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract Polygonati Rhizoma has been reported to exhibit the ability to retard skin aging. However, the precise molecular mechanisms underlying remain largely elusive. In this study, we screened 9 active compounds in Pol...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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Hedyotis diffusa and Scutellaria barbata enhance the anti-ovarian cancer effect of cisplatin through network pharmacology analysis and molecular docking technology
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Hedyotis diffusa and Scutellaria barbata enhance the anti-ovarian cancer effect of cisplatin through network pharmacology analysis and molecular docking technology
Ran Bi et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract Hedyotis diffusa Willd (HD) and Scutellaria barbata D.Don (SB) are widely used traditional Chinese herbs with detoxifying properties and anti-tumor activities. The HD-SB pairing demonstrated significant anti-tum...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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Larvicidal potential, phytochemical composition, and molecular docking analysis of Panicum repens as a natural insecticide
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Larvicidal potential, phytochemical composition, and molecular docking analysis of Panicum repens as a natural insecticide
M. Babu et al · Universidade Federal de Minas Gerais, Escola de Veterinária · 2025 · ISSN 1678-4162
ABSTRACT Mosquito-borne diseases, including malaria and dengue fever, remain a significant public health concern, especially in developing regions. The limitations of synthetic insecticides, such as resistance and enviro...
LCC LCC:Animal cultureIdioma eng
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Synthesis, spectroscopic, characterization, antimicrobial, DNA interaction, DFT and molecular docking studies of a new Cu(II)-Schiff base complex
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Synthesis, spectroscopic, characterization, antimicrobial, DNA interaction, DFT and molecular docking studies of a new Cu(II)-Schiff base complex
Eman G. Mahmoud et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract A novel Schiff base (L) was synthesized via the condensation of folic acid with salicylaldehyde, and its copper (II) complex (Cu–L complex) was subsequently prepared, exhibiting notable biological activity. Co...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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Journal of Molecular Docking
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Journal of Molecular Docking
Institute for Researches and Community Services Universitas Muhammadiyah Palangkaraya · ISSN 2798-138X
Materias / palabras clave: Medicine: Pharmacy and materia medica; Science: Chemistry
Idioma English
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Traditional rice landraces disrupt Spodoptera litura reproduction: biochemical profiling and molecular docking
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Traditional rice landraces disrupt Spodoptera litura reproduction: biochemical profiling and molecular docking
Subbu Thavamurugan et al · Springer · 2026 · ISSN 3005-1193
Abstract Spodoptera litura (Fabricius) (Lepidoptera: Noctuidae) is a major pest that causes great damage and loss economically in the cultivation of rice. To evaluate rice's potential for resistance to S. litura, fourth-...
LCC TENDOkNoZW1pc3RyeQ~~Idioma eng
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Synthesis, antibacterial activities and molecular docking studies of ethyl 3-(4-substituted phenyl) propanoates as targeted antibiotics
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Synthesis, antibacterial activities and molecular docking studies of ethyl 3-(4-substituted phenyl) propanoates as targeted antibiotics
Vasanthakumari, Pradeepchandran R. et al · SEDICI UNLP · 2011
Type II fatty acid synthesis (FAS II) pathway has been recently reported as an attractive targeting for their efficacy against infections caused by multi-resistant Gram-positive and Gram-negative bacteria. Among the rela...
Idioma en
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Journal of Molecular Docking
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Journal of Molecular Docking
Institute for Researches and Community Services Universitas Muhammadiyah Palangkaraya; Indonesia · ISSN 2798-138X
Materias / palabras clave: docking, molecular docking, medicinal chemistry, bioinformatics, chemoinformatics, pharmaceutical sciences; Medicine: Pharmacy and materia medica; Science: Chemistry
Idioma English
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Molecular modelling and cytotoxic activity of donor-π-acceptor fluorescent diphenylamino-thiazole chromophores
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Molecular modelling and cytotoxic activity of donor-π-acceptor fluorescent diphenylamino-thiazole chromophores
Shadiah Albalawi et al · Springer · 2026 · ISSN 1319-6103
Abstract Three chromophores 5a-c based on the diphenylamine (donor), thiazole (π-core) and acrylonitrile (acceptor) were synthesized and characterized by IR, NMR, MS analyses. The donor–acceptor chromophores 5a-c were...
LCC TENDOkNoZW1pc3RyeQ~~Idioma eng
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Exploring the antimicrobial and pharmacokinetic properties, molecule docking of newly synthesized indole-thiadiazole derivatives
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Exploring the antimicrobial and pharmacokinetic properties, molecule docking of newly synthesized indole-thiadiazole derivatives
Nishan S. Gadara et al · Springer · 2026 · ISSN 3005-1193
Abstract The present study employed a three-step synthetic strategy to develop a series of novel (Z)-N-(2,4-dimethylphenyl)-3-(3-(((5-phenyl-1,3,4-thiadiazol-2-yl) imino) methyl)-1H-indol-1-yl) propanamide derivatives. T...
LCC TENDOkNoZW1pc3RyeQ~~Idioma eng
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Integrated analysis of Morusin inhibiting esophageal cancer via network pharmacology molecular dynamics simulation and in vitro validation
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Integrated analysis of Morusin inhibiting esophageal cancer via network pharmacology molecular dynamics simulation and in vitro validation
Miyuan Yang et al · Springer · 2026 · ISSN 2730-6011
Abstract Esophageal cancer (EC) is a malignant tumor characterized by high incidence and mortality, and its complex pathogenesis necessitates the development of effective therapeutic strategies. In this study, we investi...
LCC TENDOk5lb3BsYXNtcy4gVHVtb3JzLiBPbmNvbG9neS4gSW5jbHVkaW5nIGNhbmNlciBhbmQgY2FyY2lub2dlbnM~Idioma eng
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Integrating network toxicology and experimental validation to elucidate the molecular mechanism basis of chondrotoxicity of Benzo[a]pyrene in osteoarthritis
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Integrating network toxicology and experimental validation to elucidate the molecular mechanism basis of chondrotoxicity of Benzo[a]pyrene in osteoarthritis
Jingxin Pan et al · Elsevier · 2026 · ISSN 0147-6513
Benzo[a]pyrene (BaP), a widespread environmental pollutant, has been increasingly implicated in the pathogenesis of chronic degenerative diseases. Environmental pollutants have recently been recognized as emerging risk f...
LCC LCC:Environmental pollution; TENDOkVudmlyb25tZW50YWwgc2NpZW5jZXM~Idioma eng
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Synergistic Effects of Urban Air Pollution Mixtures on AMD Pathogenesis: Subtype-Specific Molecular Signatures and Predictive Modeling
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Synergistic Effects of Urban Air Pollution Mixtures on AMD Pathogenesis: Subtype-Specific Molecular Signatures and Predictive Modeling
Meilan Chen · Springer · 2026 · ISSN 1680-8584
Abstract Industrialization and urbanization exacerbate global environmental health challenges, with pollutants from industrial and vehicular emissions (e.g., PAHs, NOx, PM2.5) posing significant risks. Growing evidence l...
LCC TENDOlNjaWVuY2U~Idioma eng
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Characterization and Antioxidant Potential of Acacia nilotica Synthesized Callus and Seed Nanoparticles
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Characterization and Antioxidant Potential of Acacia nilotica Synthesized Callus and Seed Nanoparticles
Ifeanyi Jude Ibe et al · Universitas Gadjah Mada · 2024 · ISSN 1410-5918
This research aimed to explore the callogenesis, characterization, and antioxidant potential of Acacia nilotica callus and seed silver nanoparticles. The callus induction was accomplished using plant growth hormones. The...
LCC LCC:MedicineIdioma eng
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Chlorogenic acid and gallic acid synergistically reduce hyperglycemia and hyperlipidemia in diabetic BALB/c mice
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Chlorogenic acid and gallic acid synergistically reduce hyperglycemia and hyperlipidemia in diabetic BALB/c mice
Mudassir Hassan et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract Given the multifactorial nature of diabetes and limitations of conventional monotherapies, combination therapies involving natural bioactive compounds offer a complementary strategy for more effective management...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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