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73 resultados encontrados.

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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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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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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 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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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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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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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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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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Integrative proteome-wide structural analysis and high-throughput docking identify broad-spectrum antiviral scaffolds against Zika, Yellow Fever, West Nile, Saint Louis encephalitis, and Usutu viruses
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Integrative proteome-wide structural analysis and high-throughput docking identify broad-spectrum antiviral scaffolds against Zika, Yellow Fever, West Nile, Saint Louis encephalitis, and Usutu viruses
Anderson Pereira Soares et al · Frontiers Media S.A · 2026 · ISSN 2235-2988
Integrative proteome-wide virtual screening offers a powerful route to discover broad-spectrum antivirals against emerging flaviviruses, for which no approved therapeutics currently exist. Here, we address this gap by co...
LCC TENDOk1pY3JvYmlvbG9neQ~~Idioma eng
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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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Anti-inflammatory and antioxidant effects of Lavandula stoechas L. on human macrophages and in silico prediction of α7 nicotinic acetylcholine receptor interaction
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Anti-inflammatory and antioxidant effects of Lavandula stoechas L. on human macrophages and in silico prediction of α7 nicotinic acetylcholine receptor interaction
Elif Baris et al · BMC · 2026 · ISSN 2662-7671
Abstract Background Lavandula stoechas L., commonly known as lavender, has been traditionally used in various therapeutic applications, including as a smoking cessation aid. The aim of this study was to investigate the a...
LCC TENDOk90aGVyIHN5c3RlbXMgb2YgbWVkaWNpbmU~Idioma 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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Computational screening of AI-derived cyclotides as putative VEGFR2 binders for wound-site angiogenesis
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Computational screening of AI-derived cyclotides as putative VEGFR2 binders for wound-site angiogenesis
Özlem Karaca Ocak et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract Chronic wounds represent a longstanding clinical problem due to impaired angiogenesis due to insufficient activation of vascular endothelial growth factor receptor 2 (VEGFR2). In this investigation, we used comp...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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Design, synthesis, characterization, in-silico and in-vitro evaluation of novel 2-mercapto benzimidazole derivatives tethered with isoniazid for the treatment of tuberculosis
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Design, synthesis, characterization, in-silico and in-vitro evaluation of novel 2-mercapto benzimidazole derivatives tethered with isoniazid for the treatment of tuberculosis
Nayana Ravindra Jawale et al · Springer · 2026 · ISSN 3005-1193
Abstract 2-Mercapto benzimidazole derivatives are well-recognized for their diverse pharmacological activities, including anti-tubercular, antimicrobial, anti-ulcer, analgesic, and anticancer properties. Isoniazid, a fir...
LCC TENDOkNoZW1pc3RyeQ~~Idioma eng
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Dickkopf 2 serves as a novel therapeutic target and prognostic biomarker in acute myeloid leukemia targeted by evodiamine
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Dickkopf 2 serves as a novel therapeutic target and prognostic biomarker in acute myeloid leukemia targeted by evodiamine
Rui Li et al · Frontiers Media S.A · 2026 · ISSN 2296-858X
ObjectiveAcute myeloid leukemia (AML) has seen a significant increase in cases recently, often leading to a poor outlook. Dysregulated cell death is a characteristic of AML that aids in both the formation and advancement...
LCC TENDOk1lZGljaW5lIChHZW5lcmFsKQ~~Idioma eng
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Dose-dependent effects of pomegranate peel extract on modulating ruminal fermentation, methane emission, nutrient digestibility and productive values in camels: an in vitro and in silico integrations
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Dose-dependent effects of pomegranate peel extract on modulating ruminal fermentation, methane emission, nutrient digestibility and productive values in camels: an in vitro and in silico integrations
Abdullah Sheikh et al · Frontiers Media S.A · 2026 · ISSN 2297-1769
IntroductionSustainable management of bioactive-rich byproducts, including pomegranate peels, is crucial to support the rise of environmentally resilient intensive camel farming. The objective of this study was to invest...
LCC TENDOlZldGVyaW5hcnkgbWVkaWNpbmU~Idioma eng
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GC–MS metabolomic profiling and PPARγ-targeted in silico approaches for identifying a potential anti-diabetic compound from traditional rice varieties
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GC–MS metabolomic profiling and PPARγ-targeted in silico approaches for identifying a potential anti-diabetic compound from traditional rice varieties
Saranya Nallusamy et al · Frontiers Media S.A · 2026 · ISSN 2296-861X
Traditional rice varieties are known to exhibit anti-oxidant, anti-inflammatory, anti-diabetic, anti-cancer, and cardioprotective properties due to their nutritional profile and diverse phytochemical composition. The pre...
LCC LCC:Nutrition. Foods and food supplyIdioma eng
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Integrated pharmacology and experimental validation reveals potential multiple mechanisms of the neutrophil elastase inhibitor sivelestat in attenuating myocarditis
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Integrated pharmacology and experimental validation reveals potential multiple mechanisms of the neutrophil elastase inhibitor sivelestat in attenuating myocarditis
Ruguo Ren et al · Frontiers Media S.A · 2026 · ISSN 1663-9812
BackgroundMyocarditis is an inflammatory cardiomyopathy characterized by high level of inflammatory cell infiltration and progressive cardiac dysfunction. The underlying pathogenesis involves direct pathogen damage and i...
LCC LCC:Therapeutics. PharmacologyIdioma eng
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Metagenomic insights reveal β-glucosidase-producing lactic acid bacteria from Miyamikhri with taxiphyllin degradation potential
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Metagenomic insights reveal β-glucosidase-producing lactic acid bacteria from Miyamikhri with taxiphyllin degradation potential
Rohit Das et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract “Miyamikhri,” a traditionally fermented bamboo shoot consumed by the Dimasa tribe of Assam, was investigated using a multi-omics approach integrating metagenomics, functional prediction, molecular docking, a...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma eng
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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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