Works matching DE "MOLECULAR docking"
Results: 5000
n-Hexane Extract of Leptastrea purpurea: In Vitro and In Silico Antioxidant Activity.
- Published in:
- Tropical Journal of Natural Product Research, 2025, v. 9, n. 2, p. 716, doi. 10.26538/tjnpr/v9i2.39
- By:
- Publication type:
- Article
Discovering the Potential Mechanisms of Canna indica Leaves Ethanolic Extract against Plasmodium falciparum Malaria: Network Pharmacology and Molecular Docking Approach.
- Published in:
- Tropical Journal of Natural Product Research, 2025, v. 9, n. 2, p. 702, doi. 10.26538/tjnpr/v9i2.37
- By:
- Publication type:
- Article
In Vitro and in Silico Analysis of Antilipase, Antioxidant, and Optimization of Granule Effervescent from Peronema canescens Jack.
- Published in:
- Tropical Journal of Natural Product Research, 2025, v. 9, n. 2, p. 545, doi. 10.26538/tjnpr/v9i2.19
- By:
- Publication type:
- Article
In Silico Prediction of Anti-Inflammatory Potential of Isolated Compounds from Enhalus acoroides.
- Published in:
- Tropical Journal of Natural Product Research, 2025, v. 9, n. 2, p. 439, doi. 10.26538/tjnpr/v9i2.4
- By:
- Publication type:
- Article
SYNTHESIS, ANTICANCER PROPERTIES EVALUATION AND IN SILICO STUDIES OF 2-CHLORO- AND 2,2-DICHLOROACETAMIDES BEARING THIAZOLE SCAFFOLDS.
- Published in:
- ScienceRise: Pharmaceutical Science, 2025, v. 53, n. 1, p. 71, doi. 10.15587/2519-4852.2025.323594
- By:
- Publication type:
- Article
DESIGN, SYNTHESIS, MOLECULAR DOCKING, AND ANTIOXIDANT PROPERTIES OF A SERIES OF NEW S-DERIVATIVES OF ((1,2,4-TRIAZOL-3(2H)-YL)METHYL) THIOPYRIMIDINES.
- Published in:
- ScienceRise: Pharmaceutical Science, 2025, v. 53, n. 1, p. 62, doi. 10.15587/2519-4852.2025.312075
- By:
- Publication type:
- Article
SYNTHESIS, ANTICANCER PROPERTIES EVALUATION AND IN SILICO STUDIES OF 2-CHLORO- AND 2,2-DICHLOROACETAMIDES BEARING THIAZOLE SCAFFOLDS.
- Published in:
- 2025
- By:
- Publication type:
- Abstract
DESIGN, SYNTHESIS, MOLECULAR DOCKING, AND ANTIOXIDANT PROPERTIES OF A SERIES OF NEW S-DERIVATIVES OF ((1,2,4-TRIAZOL-3(2H)-YL)METHYL)THIOPYRIMIDINES.
- Published in:
- 2025
- By:
- Publication type:
- Abstract
SYNTHESIS OF (-) - 6,6'-DINITROHINOKININ FROM HINOKININ NATURAL PRODUCT AND in silico AND in vitro TRYPANOCIDAL ACTIVITY ASSESSMENT.
- Published in:
- Bioscience Journal, 2024, v. 40, p. 1, doi. 10.14393/BJ-v40n0a2024-69502
- By:
- Publication type:
- Article
Unraveling the causal relationship and underlying mechanisms between cathepsins on liver cancer: findings from mendelian randomization and bioinformatics analysis.
- Published in:
- Discover Oncology, 2025, v. 16, n. 1, p. 1, doi. 10.1007/s12672-025-02030-3
- By:
- Publication type:
- Article
Synthesis, characterization and docking studies of Sliver(I)- N-heterocyclic carbene ligated Schiff base complexes.
- Published in:
- Journals Kufa for Chamical, 2024, v. 3, p. 370
- By:
- Publication type:
- Article
Synthesis, Characterization, and Molecular Docking of Ag(I) Complex with Schiff Base Functionalized N-Heterocyclic Carbene.
- Published in:
- Journals Kufa for Chamical, 2024, v. 3, p. 384
- By:
- Publication type:
- Article
Synthesis, Antibacterial Evaluation and Study Molecular Docking of New derivatives from sulfapyridine Maryam Methaq Najm and Hanan Faleh Mohsein.
- Published in:
- Journals Kufa for Chamical, 2024, v. 3, p. 134
- By:
- Publication type:
- Article
Antilipase activities of cultivated peppermint and rosemary essential oils: in vitro and in silico studies.
- Published in:
- Turkish Journal of Biology, 2025, v. 49, p. 70, doi. 10.55730/1300-0152.2725
- By:
- Publication type:
- Article
Determining the optimal antioxidant strategy: a comparative analysis of extraction methods in Cistus villosus L. extracts revealed by LC-HRMS and computational modeling.
- Published in:
- Turkish Journal of Biology, 2025, v. 49, p. 1, doi. 10.55730/1300-0152.2720
- By:
- Publication type:
- Article
Integrated computational analysis of molecular mechanisms underlying perfluorooctane sulfonic acid induced thyroid toxicity.
- Published in:
- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-92678-2
- By:
- Publication type:
- Article
Pharmacological targets and therapeutic mechanisms of Arabic gum in treating diabetic wounds: insights from network pharmacology and experimental validation.
- Published in:
- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1528880
- By:
- Publication type:
- Article
Synthesis, Molecular Docking Study and Antimicrobial Evaluation of Some 1,2,4-Triazole Compounds.
- Published in:
- Indian Journal of Pharmaceutical Education & Research, 2025, v. 59, p. 375, doi. 10.5530/ijper.20255394
- By:
- Publication type:
- Article
Synthesis and Evaluation of 2, 5-substituted Pyrazolone for Neuroprotective Potential in SH-SY5Y Human Neuroblastoma Cells.
- Published in:
- Indian Journal of Pharmaceutical Education & Research, 2025, v. 59, p. 323, doi. 10.5530/ijper.20256349
- By:
- Publication type:
- Article
Unlocking Anti-Inflammatory Potential: Virtual Discovery and ADMET Evaluation of Novel Pyrazole-Based COX-II Inhibitors.
- Published in:
- Indian Journal of Pharmaceutical Education & Research, 2025, v. 59, p. 312, doi. 10.5530/ijper.20256457
- By:
- Publication type:
- Article
The Effect of Sophoridine on NSCLC by Down Regulation of mTOR and NOTCH1.
- Published in:
- Indian Journal of Pharmaceutical Education & Research, 2024, v. 58, n. 4, p. 1373, doi. 10.5530/ijper.58.4.147
- By:
- Publication type:
- Article
Strategic Targeting of Plasmodium Dihydroorotate Dehydrogenase through Antimicrobial Artemisinin Chiral Centers and their Derivatives: An Integrative Study Using Network Pharmacology and Isothermal Titration Calorimetry.
- Published in:
- Indian Journal of Pharmaceutical Education & Research, 2024, v. 58, n. 4, p. 1356, doi. 10.5530/ijper.58.4.146
- By:
- Publication type:
- Article
HR-LCMS Metabolite Profiling and in silico Evaluation of the Antidiabetic Activity of Methanolic Leaf Extract of Chrozophora rottleri (Geiseler) A. Juss. Ex Spreng.
- Published in:
- Indian Journal of Pharmaceutical Education & Research, 2024, v. 58, n. 4, p. 1277, doi. 10.5530/ijper.58.4.140
- By:
- Publication type:
- Article
Coumarin-1,2,3-Triazole Hybrids as Promising Antibacterial Agents: In silico Molecular Docking, ADMET and Molecular Dynamics Simulation Studies (Exploring in silico Antibacterial Potential of Coumarin-1,2,3-triazoles).
- Published in:
- Indian Journal of Pharmaceutical Education & Research, 2024, v. 58, n. 4, p. 1242, doi. 10.5530/ijper.58.4.137
- By:
- Publication type:
- Article
Integrated Network Pharmacology, Machine Learning and Experimental Validation to Identify the Key Targets and Compounds of TiaoShenGongJian for the Treatment of Breast Cancer.
- Published in:
- OncoTargets & Therapy, 2025, v. 18, p. 49, doi. 10.2147/OTT.S486300
- By:
- Publication type:
- Article
Quercetin, a Compound of the Total Flavonoids of Periploca forrestii Schltr., Ameliorates Rheumatoid Arthritis by Targeting TNF-α.
- Published in:
- Journal of Inflammation Research, 2025, v. 18, p. 2879, doi. 10.2147/JIR.S497166
- By:
- Publication type:
- Article
Effects of Baicalin on Gout Based on Network Pharmacology, Molecular Docking, and in vitro Experiments.
- Published in:
- Journal of Inflammation Research, 2025, v. 18, p. 1543, doi. 10.2147/JIR.S480911
- By:
- Publication type:
- Article
Antimicrobial Activity and Metabolomic Analysis of Linalool Against Pathogenic Bacteria Methicillin-Resistant Staphylococcus aureus.
- Published in:
- Infection & Drug Resistance, 2025, v. 18, p. 731, doi. 10.2147/IDR.S491358
- By:
- Publication type:
- Article
Deciphering the mechanism of action of Chaihu-Astragalus compound in the management of alcoholic liver fibrosis: A network pharmacology and molecular docking approach.
- Published in:
- Journal of Chinese Pharmaceutical Sciences, 2025, v. 34, n. 2, p. 163, doi. 10.5246/jcps.2025.02.013
- By:
- Publication type:
- Article
Evaluating the therapeutic potential of 4-hydroxyflavanes diastereomers derivatives against (MetAP2) for anti-cancer therapy: a molecular docking study.
- Published in:
- Chemical Product & Process Modeling, 2025, v. 20, n. 1, p. 101, doi. 10.1515/cppm-2024-0098
- By:
- Publication type:
- Article
Study on the Molecular Mechanism of Baicalin Phosphorylation of Tau Protein Content in a Cell Model of Intervention Cognitive Impairment.
- Published in:
- Neuropsychiatric Disease & Treatment, 2025, v. 21, p. 309, doi. 10.2147/NDT.S482362
- By:
- Publication type:
- Article
CellMsg: graph convolutional networks for ligand–receptor-mediated cell-cell communication analysis.
- Published in:
- Briefings in Bioinformatics, 2025, v. 26, n. 1, p. 1, doi. 10.1093/bib/bbae716
- By:
- Publication type:
- Article
Integrating experimental and computational methods to uncover the anti-inflammatory, anti-nociceptive and antioxidant properties of Alchemilla vulgaris.
- Published in:
- Phytothérapie, 2024, v. 22, n. 6, p. 274, doi. 10.3166/phyto-2024-0421
- By:
- Publication type:
- Article
Phytochemical synergies in BK002: advanced molecular docking insights for targeted prostate cancer therapy.
- Published in:
- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1504618
- By:
- Publication type:
- Article
A dataset for machine learning-based QSAR models establishment to screen beta-lactamase inhibitors using the FARM -BIOMOL chemical library.
- Published in:
- BMC Research Notes, 2025, v. 18, n. 1, p. 1, doi. 10.1186/s13104-025-07159-6
- By:
- Publication type:
- Article
Alpha-glucosidase inhibitory activities of furanoflavonoids isolated from Pongamia pinnata : DFT calculation, molecular modelling and in vitro studies.
- Published in:
- Natural Product Communications, 2025, v. 20, n. 2, p. 1, doi. 10.1177/1934578X251321051
- By:
- Publication type:
- Article
Gigantol, a promising natural drug for inflammation: a literature review and computational based study.
- Published in:
- Natural Product Research, 2025, v. 39, n. 5, p. 1241, doi. 10.1080/14786419.2024.2340042
- By:
- Publication type:
- Article
Indole alkaloids from endophytic fungus Robillarda sessilis and their antibacterial activity.
- Published in:
- Natural Product Research, 2025, v. 39, n. 5, p. 1156, doi. 10.1080/14786419.2023.2297853
- By:
- Publication type:
- Article
Isolation and in silico investigation of cannflavins from Cannabis sativa leaves as potential anti-SARS-CoV-2 agents targeting the Papain-Like Protease.
- Published in:
- Natural Product Research, 2025, v. 39, n. 5, p. 1081, doi. 10.1080/14786419.2023.2294111
- By:
- Publication type:
- Article
In Vitro COX Inhibitory Activity, LC–MS Analysis and Molecular Docking Study of Silene vulgaris and Stellaria media.
- Published in:
- Cell Biochemistry & Biophysics, 2025, v. 83, n. 1, p. 1009, doi. 10.1007/s12013-024-01533-0
- By:
- Publication type:
- Article
Exploring Holy Basil's Bioactive Compounds for T2DM Treatment: Docking and Molecular Dynamics Simulations with Human Omentin-1.
- Published in:
- Cell Biochemistry & Biophysics, 2025, v. 83, n. 1, p. 793, doi. 10.1007/s12013-024-01511-6
- By:
- Publication type:
- Article
Molecular Modeling Studies of Similar Molecules to Selective Estrogen Receptor Degrader Elacestrant as Inhibitors of SARS-COV-2.
- Published in:
- Cell Biochemistry & Biophysics, 2025, v. 83, n. 1, p. 741, doi. 10.1007/s12013-024-01506-3
- By:
- Publication type:
- Article
Structural Insight on Interaction of NMDA receptor with fentanyl, ketamine and Isoflurane: A Computational Study to Unravel Mode of Binding.
- Published in:
- Cell Biochemistry & Biophysics, 2025, v. 83, n. 1, p. 669, doi. 10.1007/s12013-024-01499-z
- By:
- Publication type:
- Article
Active Components of Wen Fei Fu Yang Qu Tan Fang and its Molecular Targets for Chronic Obstructive Pulmonary Disease Based on Network Pharmacology and Molecular Docking.
- Published in:
- Cell Biochemistry & Biophysics, 2025, v. 83, n. 1, p. 657, doi. 10.1007/s12013-024-01498-0
- By:
- Publication type:
- Article
Correction: In Silico Investigation against Inhibitors of Alpha-Amylase Using Structure-based Screening, Molecular Docking, and Molecular Simulations Studies.
- Published in:
- 2025
- By:
- Publication type:
- Correction Notice
Molecular Dynamics Simulation Studies of Beta-Glucogallin and Dihydro Dehydro Coniferyl Alcohol from Syzygium cumini for its Antimicrobial Activity on Staphylococcus aureus.
- Published in:
- Cell Biochemistry & Biophysics, 2025, v. 83, n. 1, p. 599, doi. 10.1007/s12013-024-01489-1
- By:
- Publication type:
- Article
Exploring the Anticancer Potential of Furanpydone A: A Computational Study on its Inhibition of MTHFD2 Across Diverse Cancer Cell Lines.
- Published in:
- Cell Biochemistry & Biophysics, 2025, v. 83, n. 1, p. 437, doi. 10.1007/s12013-024-01474-8
- By:
- Publication type:
- Article
德国小蠊钠离子通道 V295N 突变对 α-蝎毒素 LqhαIT 敏感性的影响.
- Published in:
- Chinese Journal of Pesticide Science / Nongyaoxue Xuebao, 2025, v. 27, n. 1, p. 90, doi. 10.16801/j.issn.1008-7303.2024.0114
- By:
- Publication type:
- Article
Antimicrobial Activity, In Silico Analysis, and Molecular Docking Studies of An Iodide-Bridged Dimeric Palladium Complex: A Comprehensive Insight.
- Published in:
- Malaysian Applied Biology, 2024, v. 53, n. 6, p. 143, doi. 10.55230/mabjournal.v53i6.1
- By:
- Publication type:
- Article
MUSHROOM DERIVED COMPOUNDS UNVEILED NARINGIN AS A POTENTIAL MULTI-TARGETED ANTI-BREAST CANCER COMPOUND - AN IN-SILICO APPROACH.
- Published in:
- Journal of Faculty of Pharmacy of Ankara University / Ankara Üniversitesi Eczacilik Fakültesi Dergisi, 2025, v. 49, n. 1, p. 21, doi. 10.33483/jfpau.1512113
- By:
- Publication type:
- Article