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Academic Journal

Versatile properties of Opuntia ficus-indica (L.) Mill. flowers: In vitro exploration of antioxidant, antimicrobial, and anticancer activities, network pharmacology analysis, and In-silico molecular docking simulation.

  • Authors : Mwaheb MA; Botany Department, Faculty of Science, Fayoum University, Fayoum, Egypt.; Reda NM

Subjects: Flowers*/Flowers*/Flowers*/chemistry ; Antioxidants*/Antioxidants*/Antioxidants*/pharmacology ; Antioxidants*/Antioxidants*/Antioxidants*/chemistry

  • Source: PloS one [PLoS One] 2024 Nov 04; Vol. 19 (11), pp. e0313064. Date of Electronic Publication: 2024 Nov 04 (Print Publication: 2024).Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Astragalin improves cognitive disorder in Alzheimer's disease: Based on network pharmacology and molecular docking simulation.

  • Authors : Du R; College of Chinese Medicinal Materials, Jilin Agricultural University, Changchun, China.; Pei H

Subjects: Alzheimer Disease*/Alzheimer Disease*/Alzheimer Disease*/drug therapy ; Alzheimer Disease*/Alzheimer Disease*/Alzheimer Disease*/metabolism ; Kaempferols*/Kaempferols*/Kaempferols*/pharmacology

  • Source: CNS neuroscience & therapeutics [CNS Neurosci Ther] 2024 Aug; Vol. 30 (8), pp. e14799.Publisher: Wiley-Blackwell Country of Publication: England NLM ID: 101473265 Publication Model: Print Cited Medium: Internet ISSN: 1755-5949

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Academic Journal

Combatting biofilm formation of Klebsiella pneumoniae and Bacillus subtilis clinical strains from the oral cavity using biogenic Se-NPs: molecular docking simulation and cytotoxic effects on HepG2 cancer cells.

  • Authors : Yousef A; Basic & Medical Sciences Department, Faculty of Dentistry, Al-Ryada University for Science and Technology, Sadat City, Egypt.; Abu-Elghait M

Subjects: Klebsiella pneumoniae*/Klebsiella pneumoniae*/Klebsiella pneumoniae*/drug effects ; Klebsiella pneumoniae*/Klebsiella pneumoniae*/Klebsiella pneumoniae*/physiology ; Klebsiella pneumoniae*/Klebsiella pneumoniae*/Klebsiella pneumoniae*/isolation & purification

  • Source: BMC microbiology [BMC Microbiol] 2025 Jul 21; Vol. 25 (1), pp. 446. Date of Electronic Publication: 2025 Jul 21.Publisher: BioMed Central Country of Publication: England NLM ID: 100966981 Publication Model: Electronic Cited Medium: Internet ISSN: 1471-2180

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Academic Journal

Enantioselective synthesis, characterization, molecular docking simulation and ADMET profiling of α-alkylated carbonyl compounds as antimicrobial agents.

  • Authors : Noser AA; Chemistry Department, Faculty of Science, Tanta University, Tanta, 31527, Egypt. .; Ezzat M

Subjects: Anti-Infective Agents*/Anti-Infective Agents*/Anti-Infective Agents*/pharmacology ; Anti-Infective Agents*/Anti-Infective Agents*/Anti-Infective Agents*/chemistry ; Anti-Infective Agents*/Anti-Infective Agents*/Anti-Infective Agents*/chemical synthesis

  • Source: Scientific reports [Sci Rep] 2024 May 21; Vol. 14 (1), pp. 11586. Date of Electronic Publication: 2024 May 21.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Exploring novel of 1,2,4-triazolo[4,3-a]quinoxaline sulfonamide regioisomers as anti-diabetic and anti-Alzheimer agents with in-silico molecular docking simulation.

  • Authors : Abusaif MS; Chemistry Department, Faculty of Science (boys), Al-Azhar University, Nasr City, 11884, Cairo, Egypt. .; Sh El-Sharief AM

Subjects: Quinoxalines*/Quinoxalines*/Quinoxalines*/chemistry ; Quinoxalines*/Quinoxalines*/Quinoxalines*/pharmacology ; Quinoxalines*/Quinoxalines*/Quinoxalines*/chemical synthesis

  • Source: Scientific reports [Sci Rep] 2025 Jun 03; Vol. 15 (1), pp. 19409. Date of Electronic Publication: 2025 Jun 03.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Antibacterial Activity and Molecular Docking Studies of Black Cumin (Nigella sativa L.) Oil and Its Comparison with Some Antibiotics.

  • Authors : Kanıcı Tarhane A; Department of Pharmacology and Toxicology, Faculty of Veterinary Medicine, Kafkas University, Kars 36000, Türkiye.; Zeyrek CT

Subjects: Anti-Bacterial Agents*/Anti-Bacterial Agents*/Anti-Bacterial Agents*/pharmacology ; Anti-Bacterial Agents*/Anti-Bacterial Agents*/Anti-Bacterial Agents*/chemistry ; Nigella sativa*/Nigella sativa*/Nigella sativa*/chemistry

  • Source: International journal of molecular sciences [Int J Mol Sci] 2026 Jun 04; Vol. 27 (11). Date of Electronic Publication: 2026 Jun 04.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

Quadratic Concentration-Response Modeling and Molecular Docking of Mespilodaphne quixos (Lam.) Rohwer Essential Oil Against Candida albicans.

  • Authors : Arteaga-Crespo Y; Departamento de Matemáticas y Ciencias Físicas, Faculta Ciencias de la Vida, Universidad Estatal Amazónica, Km 2 ½ Vía Puyo-Tena, Puyo 160150, Ecuador.; García-Quintana Y

Subjects: Oils, Volatile*/Oils, Volatile*/Oils, Volatile*/pharmacology ; Oils, Volatile*/Oils, Volatile*/Oils, Volatile*/chemistry ; Candida albicans*/Candida albicans*/Candida albicans*/drug effects

  • Source: Molecules (Basel, Switzerland) [Molecules] 2026 Jun 01; Vol. 31 (11). Date of Electronic Publication: 2026 Jun 01.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Integrated In Silico Prioritization of Antidiabetic Phytochemicals from Uvaria chamae P. Beauv. Based on Docking, Induced-Fit Docking, QSAR, and ADMET Analyses.

  • Authors : Sovegnon T; Research Unit in Applied Microbiology and Pharmacology of Natural Substances, Research Laboratory in Applied Biology, Polytechnic School of Abomey-Calavi, University of Abomey-Calavi, Abomey Calavi P.O. Box 526, Benin.; Department of Cellular and Molecular Pharmacology, Louvain Drug Research Institute, UCLouvain, Avenue E. Mounier, 73, B1.73.05, 1200 Brussels, Belgium.

Subjects: Hypoglycemic Agents*/Hypoglycemic Agents*/Hypoglycemic Agents*/chemistry ; Hypoglycemic Agents*/Hypoglycemic Agents*/Hypoglycemic Agents*/pharmacology ; Phytochemicals*/Phytochemicals*/Phytochemicals*/chemistry

  • Source: Molecules (Basel, Switzerland) [Molecules] 2026 May 29; Vol. 31 (11). Date of Electronic Publication: 2026 May 29.Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049

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Academic Journal

Bioinformatics Identification and Molecular Docking Validation of Post-Translational Modification-Related Hub Genes as Diagnostic Biomarkers and Therapeutic Targets in Myocardial Fibrosis.

  • Authors : Yu X; Medical School of Tianjin University, Tianjin University, Tianjin 300072, China.; Du X

Subjects: Protein Processing, Post-Translational*/Protein Processing, Post-Translational*/Protein Processing, Post-Translational*/genetics ; Computational Biology*/Computational Biology*/Computational Biology*/methods ; Myocardium*/Myocardium*/Myocardium*/pathology

  • Source: International journal of molecular sciences [Int J Mol Sci] 2026 May 28; Vol. 27 (11). Date of Electronic Publication: 2026 May 28.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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Academic Journal

ARumenamides as Multitarget Ion Channel Modulators: Insights from Fenestration-Focused Docking, ADMET Profiling, and Molecular Dynamics.

Subjects: Sulfonamides*/Sulfonamides*/Sulfonamides*/chemistry ; Sulfonamides*/Sulfonamides*/Sulfonamides*/pharmacology ; Molecular Dynamics Simulation*

  • Source: International journal of molecular sciences [Int J Mol Sci] 2026 May 26; Vol. 27 (11). Date of Electronic Publication: 2026 May 26.Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067

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  • 1-10 of  13,873 results for ""Molecular Docking Simulation""