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Headspace SPME-GC-MS Analysis and in silico Molecular Docking Studies of Phytochemical Compounds Present in Houttuynia cordata Thunb.
- Published in:
- Indian Journal of Pharmaceutical Education & Research, 2024, v. 58, n. 3, p. 870, doi. 10.5530/ijper.58.3.95
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- Article
Network pharmacology to decipher the mechanism of Danggui Longhui Wan against chronic myeloid leukemia.
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- Asian Journal of Traditional Medicines, 2024, v. 19, n. 4, p. 177
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- Article
Nutritional and Volatile Fingerprint Characteristics of an Amazon Fruit: Ficus subapiculata.
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- Journal of Oleo Science, 2024, v. 73, n. 12, p. 1515, doi. 10.5650/jos.ess23214
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- Article
The Anti-inflammatory Effect and Molecular Docking of Essential Oils Extracted from Rhizomes of Distichochlamys benenica and Distichochlamys citrea.
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- Journal of Oleo Science, 2024, v. 73, n. 12, p. 1505, doi. 10.5650/jos.ess24148
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- Article
Mechanism of Anti-tumor Effects of Viola Medicinal Materials Based on Network Pharmacology and Molecular Docking.
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- Medicinal Plant, 2024, v. 15, n. 3, p. 9, doi. 10.19600/j.cnki.issn2152-3924.2024.03.003
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- Article
Exploring the Mechanism of Action of Glyasperin A in Intervening Menopause Based on Network Pharmacology and Molecular Docking Technology.
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- Medicinal Plant, 2024, v. 15, n. 3, p. 4, doi. 10.19600/j.cnki.issn2152-3924.2024.03.002
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- Article
Exploring novel inhibitors for Babesia bigemina lactate dehydrogenase: a computational structural biology perspective.
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- Parasitology Research, 2025, v. 124, n. 1, p. 1, doi. 10.1007/s00436-024-08433-5
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- Article
Synthesis of aminomethyl linked (+)-usnic acid derivatives via the Mannich reaction and evaluation of their biological activities.
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- Natural Product Research, 2025, v. 39, n. 2, p. 300, doi. 10.1080/14786419.2023.2263900
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- Article
The Interaction of AFB1 Aflatoxin and Lactococcin A; Molecular Docking.
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- Sakarya University Journal of Science (SAUJS) / Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 2024, v. 28, n. 6, p. 1352, doi. 10.16984/saufenbilder.1225098
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- Article
Synthesis and characterization of a cobalt(II) complex with 5-amino-1-tosyl-1h-1,2,4-triazole as a sulfonamide ligand: antibacterial and molecular docking studies.
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- Journal of Coordination Chemistry, 2024, v. 77, n. 20/21, p. 2472, doi. 10.1080/00958972.2024.2426156
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- Article
In vitro assays identified thiohydantoins with anti-trypanosomatid activity and molecular modelling studies indicated possible selective CYP51 inhibition.
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- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-024-84697-2
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- Article
Deep learning-based discovery of compounds for blood pressure lowering effects.
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- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-024-83924-0
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- Article
Elucidating the mechanism of stigmasterol in acute pancreatitis treatment: insights from network pharmacology and in vitro / in vivo experiments.
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- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2024.1485915
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- Article
Identification and experimental validation of diagnostic and prognostic genes CX3CR1, PID1 and PTGDS in sepsis and ARDS using bulk and single-cell transcriptomic analysis and machine learning.
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- Frontiers in Immunology, 2025, p. 1, doi. 10.3389/fimmu.2024.1480542
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- Article
Immunomodulatory insights of monoterpene glycosides in endometriosis: immune infiltration and target pathways analysis.
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- Hereditas, 2025, v. 162, n. 1, p. 1, doi. 10.1186/s41065-024-00354-8
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- Article
In Silico Design of CT26 Polytope and its Surface Display by ClearColi™-Derived Outer Membrane Vesicles as a Cancer Vaccine Candidate Against Colon Carcinoma.
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- Applied Biochemistry & Biotechnology, 2024, v. 196, n. 12, p. 8820, doi. 10.1007/s12010-024-04971-x
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- Article
In-silico ANALYSIS OF (S)-PINOSTROBINBENZOATE DERIVATIVES FROM Boesenbergia pandurata Roxb. AS THE CYCLOOXYGENASE-2 INHIBITORS IN FINDING ANTI-INFLAMMATORY DRUG CANDIDATES.
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- Rasayan Journal of Chemistry, 2024, v. 17, n. 4, p. 1802, doi. 10.31788/RJC.2024.1748900
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- Article
In-silico SCRENNING OF SOME HDROXYQUINOLINE ANALOGUES THROUGH ADMET AND MOLECULAR DOCKING STUDIES APPROACH USING CYCLOOXGENASE2 (1CX2).
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- Rasayan Journal of Chemistry, 2024, v. 17, n. 4, p. 1690, doi. 10.31788/RJC.2024.1748937
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- Article
STRUCTURE, QUANTUM CHEMICAL, DENSITY OF STATES, AND MOLECULAR DOCKING ANALYSIS OF SOME CHOLANE DERIVATIVES.
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- Rasayan Journal of Chemistry, 2024, v. 17, n. 4, p. 1587, doi. 10.31788/RJC.2024.1748935
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- Article
Molecular and computational analysis of a novel pathogenic variant in emopamil-binding protein (EBP) involved in cholesterol biosynthetic pathway causing a rare male EBP disorder with neurologic defects (MEND syndrome).
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- Molecular Biology Reports, 2025, v. 52, n. 1, p. 1, doi. 10.1007/s11033-024-10183-7
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- Article
Comparison of new secondgeneration H1 receptor blockers with some molecules; a study involving DFT, molecular docking, ADMET, biological target and activity.
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- BMC Chemistry, 2025, v. 19, n. 1, p. 1, doi. 10.1186/s13065-024-01371-4
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- Article
Evaluation of extra virgin olive oil compounds using computational methods: in vitro, ADMET, DFT, molecular docking and human gene network analysis study.
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- BMC Chemistry, 2025, v. 19, n. 1, p. 1, doi. 10.1186/s13065-024-01369-y
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- Article
Evaluation of extra virgin olive oil compounds using computational methods: in vitro, ADMET, DFT, molecular docking and human gene network analysis study.
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- BMC Chemistry, 2025, v. 19, n. 1, p. 1, doi. 10.1186/s13065-024-01369-y
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- Article
Isolation and in-silico approach of Modified Embelin derivative from Embelia ribes fruits as anti‐Alzheimer agent.
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- Natural Product Research, 2025, v. 39, n. 1, p. 208, doi. 10.1080/14786419.2023.2255920
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- Article
5-nitro isatin containing heterocyclics derivatives: synthesis, antioxidant activity, anticancer activity and molecular docking.
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- Natural Product Research, 2025, v. 39, n. 1, p. 56, doi. 10.1080/14786419.2023.2250898
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- Article
Carboxymethyl hemicellulose hydrogel as a fluorescent biosensor for bacterial and fungal detection with DFT and molecular docking studies.
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- Scientific Reports, 2025, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-83157-1
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- Article
New thiazole derivative as a potential anticancer and topoisomerase II inhibitor.
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- Scientific Reports, 2025, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-81294-1
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- Article
The Leaf Essential Oils of Syzygium oblatum and Syzygium abortivum : Chemical Composition, Antimicrobial Activity, and Molecular Docking Study.
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- Natural Product Communications, 2024, v. 19, n. 12, p. 1, doi. 10.1177/1934578X241309736
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- Article
Network Pharmacology, Molecular Docking, and Experimental Validation to Investigate the Mechanism of Qifu Longkui Decoction in the Treatment of Colorectal Cancer.
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- Natural Product Communications, 2024, v. 19, n. 12, p. 1, doi. 10.1177/1934578X241306229
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- Article
Mechanistic Evaluation of EGCG against Atopic Dermatitis: An in Vivo and in Silico Study.
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- Natural Product Communications, 2024, v. 19, n. 12, p. 1, doi. 10.1177/1934578X241304962
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- Article
Molecular Mechanism of Sangmei Zhike Granules in Treating Allergic Asthma: Insights from UPLC-MS/MS and Network Pharmacology.
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- Natural Product Communications, 2024, v. 19, n. 12, p. 1, doi. 10.1177/1934578X241301999
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- Article
Exploring the therapeutic potential of Asparagus africanus in polycystic ovarian syndrome: a computational analysis.
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- Journal of Integrative Bioinformatics, 2024, v. 21, n. 4, p. 1, doi. 10.1515/jib-2024-0019
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- Article
SPI1 facilitates microfracture-mediated cartilage regeneration in the elderly by enhancing bone marrow stromal cells ctemness.
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- Journal of Tissue Engineering, 2025, p. 1, doi. 10.1177/20417314241311073
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- Article
Investigation of alpha-glucosidase inhibition activity of Artabotrys sumatranus leaf extract using metabolomics, machine learning and molecular docking analysis.
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- PLoS ONE, 2025, v. 20, n. 1, p. 1, doi. 10.1371/journal.pone.0313592
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- Article
In silico Analysis of the Biflavonoids as Novel Inhibitors of α-Glucosidase.
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- Journal of Macromolecular Science: Physics, 2025, v. 64, n. 1, p. 113, doi. 10.1080/00222348.2024.2337521
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- Article
Metagenomic analysis and bioactive profiling of kombucha fermentation: antioxidant, antibacterial activities, and molecular docking insights into gastric cancer therapeutics.
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- Toxicology Research, 2024, v. 13, n. 6, p. 1, doi. 10.1093/toxres/tfae224
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- Article
The impact of Benzophenone-3 on osteoarthritis pathogenesis: a network toxicology approach.
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- Toxicology Research, 2024, v. 13, n. 6, p. 1, doi. 10.1093/toxres/tfae199
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- Article
Predicting Chemical Toxicity in Rivers Near Electricity Station Outlet Discharges Using Quantitative Structure-Activity Relationship (QSAR).
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- Pollution (2383451X), 2024, v. 11, n. 1, p. 191, doi. 10.22059/poll.2024.378640.2440
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- Article
In silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants -- A review.
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- Animal Bioscience, 2025, v. 38, n. 1, p. 1, doi. 10.5713/ab.24.0291
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- Article
Correction.
- Published in:
- 2025
- Publication type:
- Correction Notice
Synthesis, Spectroscopic Characterization, DFT, Molecular Docking, Catechol Oxidase Activity, and Anti-SARS-CoV-2 of Acylhydrazone Derivatives.
- Published in:
- Polycyclic Aromatic Compounds, 2025, v. 45, n. 1, p. 80, doi. 10.1080/10406638.2024.2391486
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- Article
Synthesis and Antimicrobial Evaluation of 1H-1,2,3-Triazole-Linked Quinoline-Phenolic Natural Product Conjugates.
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- Polycyclic Aromatic Compounds, 2025, v. 45, n. 1, p. 19, doi. 10.1080/10406638.2024.2380996
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- Article
Antimicrobial and Molecular Docking Studies of 1,3,4-Thiadiazole Tethered Sulfa-Azo Derivatives via Hydrazono-Methyl Bridge.
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- Polycyclic Aromatic Compounds, 2025, v. 45, n. 1, p. 1, doi. 10.1080/10406638.2024.2370570
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- Article
A New Benzofuran from the Roots of Eupatorium chinense L. and Its a-Glucosidase and PTP1B Inhibitory Activities.
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- Records of Natural Products, 2024, v. 18, n. 6, p. 693, doi. 10.25135/rnp.483.2408.3280
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- Article
Lathyrol Binds with STAT3 DNA Binding Domain and Induces Apoptosis in Multiple Human Cancer Cells.
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- Pakistan Journal of Zoology, 2024, v. 56, n. 6, p. 2877, doi. 10.17582/journal.pjz/20230526090501
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- Article
Triterpenoids from Ganoderma lucidum inhibit cytochrome P450 enzymes interfering with the metabolic process of specific clinical drugs.
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- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2024.1485209
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- Article
Effect of Phenol and Saponin on Apis Dorsata Forest Honey and Docking Molecule on Preeclamptic Markers.
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- Journal of Advanced Technology & Multidiscipline, 2024, v. 3, n. 2, p. 66, doi. 10.20473/jatm.v3i2.60655
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- Article
Data-driven score tuning for ChooseLD: A structure-based drug design algorithm with empirical scoring and evaluation of ligand-protein docking predictability.
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- Biophysics & Physicobiology, 2024, v. 21, n. 3, p. 1, doi. 10.2142/biophysico.bppb-v21.0021
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- Article
Homoharringtonine promotes non-small-cell lung cancer cell death via modulating HIF-1α/ERβ/E2F1 feedforward loop.
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- Journal of Pharmacy & Pharmacology, 2024, v. 76, n. 12, p. 1647, doi. 10.1093/jpp/rgae110
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- Article
Design, Synthesis, and Evaluation of EA-Sulfonamides and Indazole-Sulfonamides as Promising Anticancer Agents: Molecular Docking, ADME Prediction, and Molecular Dynamics Simulations.
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- Chemistry (2624-8549), 2024, v. 6, n. 6, p. 1396, doi. 10.3390/chemistry6060083
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- Article