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ENHANCING DRUG-TARGET INTERACTIONS THROUGH DUAL-DRUG DOCKING: A COMPUTATIONAL STUDY OF DICLOFENAC-HEPARIN COMPLEXES WITH FACTOR X<sub>A</sub>.
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- Journal of Science & Arts, 2024, v. 24, n. 4, p. 973, doi. 10.46939/J.Sci.Arts-24.4-b04
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- Article
Lipid nanocarrier-based bigel of Piper betel oil for analgesic and anti-inflammatory applications.
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- Journal of Microencapsulation, 2025, v. 42, n. 1, p. 47, doi. 10.1080/02652048.2024.2430651
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- Publication type:
- Article
Exploring similarities and differences in anti-atherosclerotic potential bioactives among Dendrobium species by UPLC-Q-Exactive Orbitrap MS.
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- NPJ Science of Food, 2025, v. 9, n. 1, p. 1, doi. 10.1038/s41538-025-00371-5
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- Publication type:
- Article
Integrated approach with UHPLC-Q-Exactive-tandem mass spectrometry, network analysis, and molecular docking to determine potential active compounds and mechanisms of Rhizoma Musae decoction in osteoarthritis treatment.
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- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2024.1380335
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- Article
Molecular docking study of 2,4-disubstituted thiazole derivatives as antiulcer activity.
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- 2024
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- Publication type:
- Abstract
Enhanced compound selection using holistic virtual screening for gatifloxacin analogues to overcome dysglycemic effects.
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- International Journal of Biology & Chemistry, 2024, v. 17, n. 2, p. 130, doi. 10.26577/IJBCh2024v17.i2.10
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- Article
Novel 3-benzylbenzo[d]thiazol-2(3H)-iminium salts as potent DNA benzylating agents: design, synthesis, MTT assay, and DFT calculation.
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- International Journal of Biology & Chemistry, 2024, v. 17, n. 2, p. 121, doi. 10.26577/IJBCh2024v17.i2.9
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- Article
Mechanistic insight into the cholinergic, muscarinic and antagonistic effects of Khat (Catha edulis) on native nicotinic acetylcholine receptors.
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- Tropical Journal of Pharmaceutical Research, 2024, v. 23, n. 12, p. 1991, doi. 10.4314/tjpr.v23i12.4
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- Article
Evaluation of the Alkaloids as Inhibitors of Human Acetylcholinesterase by Molecular Docking and ADME Prediction.
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- In Vivo, 2025, v. 39, n. 1, p. 236, doi. 10.21873/invivo.13822
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- Article
Molecular docking, molecular dynamics simulation, and in vitro evaluation of hydroxythioxanthone derivatives as antimalarial agents.
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- Thai Journal of Pharmaceutical Sciences, 2024, v. 48, n. 4, p. 1
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- Publication type:
- Article
Fracture-healing effects of Rhizoma Musae ethanolic extract: An integrated study using UHPLC-Q-Exactive-MS/MS, network pharmacology, and molecular docking.
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- PLoS ONE, 2025, v. 20, n. 1, p. 1, doi. 10.1371/journal.pone.0313743
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- Article
ELUCIDATING THE ROLE OF AJMODA (APIUM GRAVEOLENS LINN) IN ISCHEMIC HEART DISEASE THROUGH NETWORK PHARMACOLOGY AND MOLECULAR DOCKING ANALYSIS.
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- Indian Drugs, 2024, v. 61, n. 11, p. 50, doi. 10.53879/id.61.11.14795
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- Publication type:
- Article
Anti-adherent effects of Rhizophora apiculata bark and leaf extracts and computational prediction of the effects of its compound on β-tubulin interaction in Acanthamoeba triangularis genotype 4.
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- Veterinary World, 2024, v. 17, n. 12, p. 2829, doi. 10.14202/vetworld.2024.2829-2845
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- Publication type:
- Article
Ultrasound-assisted synthesis of α-aminophosphonates using nano ZnO catalyst: evaluation of their anti-diabetic activity.
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- Organic Communications, 2024, v. 17, n. 4, p. 249, doi. 10.25135/acg.oc.180.2412.3384
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- Publication type:
- Article
Synthesis, characterization, antioxidant, in silico-based virtual screening and anti-cancer potential of substituted 2-(4-acetyl-5-methyl-1h-1,2,3-triazol-1-yl)-n-phenylacetamide derivatives.
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- Organic Communications, 2024, v. 17, n. 4, p. 218, doi. 10.25135/acg.oc.177.2412.3374
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- Article
Synthesis of novel sulfamides derived from dopamine analogues with their in silico studies against hyperprolactinemia.
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- Organic Communications, 2024, v. 17, n. 4, p. 205, doi. 10.25135/acg.oc.176.2411.3361
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- Publication type:
- Article
Ultrasound-assisted synthesis, biological activities and molecular docking study of 1,2,3-triazole incorporated 2-amino-3-cyanopyridines.
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- Chemistry & Biology Interface, 2024, v. 14, n. 5, p. 86
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- Publication type:
- Article
α-Amylase inhibitory potential of dihydropyrano coumarins: In silico and DFT analysis.
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- 3 Biotech, 2025, v. 15, n. 2, p. 1, doi. 10.1007/s13205-024-04194-1
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- Article
Dietary supplements for prevention of Alzheimer's disease: In vivo and in silico molecular docking studies.
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- Iranian Journal of Basic Medical Sciences, 2025, v. 28, n. 2, p. 170, doi. 10.22038/ijbms.2024.79960.17320
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- Article
Green Synthesis, Spectral Characterization, In Silico and In Vitro Antimicrobial Investigations, and ADMET Profiling of Functionalized Hydrazone Derivatives.
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- Russian Journal of Organic Chemistry, 2024, v. 60, p. S213, doi. 10.1134/S1070428024130256
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- Article
Design, Synthesis, and Antioxidant Studies of Newer 4′-(3-Substituted Phenyl-6,6-dimethyl-4-oxo-2,3,5,7-tetrahydrobenzofuran-2-yl)-[1,1′-biphenyl]-2-carbonitriles: Adaptability of Sartans Drug Reactant.
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- Russian Journal of Organic Chemistry, 2024, v. 60, p. S112, doi. 10.1134/S1070428024130153
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- Publication type:
- Article
Design, Synthesis, and Biological Evaluation of Novel Bisurea Derivatives of p-Xylylenediamine as Potent Anti-Diabetic Agents.
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- Russian Journal of Organic Chemistry, 2024, v. 60, p. S95, doi. 10.1134/S107042802413013X
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- Publication type:
- Article
Synthesis, Biological Activity, and Molecular Docking Study of New Triazoline Derivatives Using 2-Amino-5-p-subtituted Phenyl-1,3,4-thiadiazoles.
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- Russian Journal of Organic Chemistry, 2024, v. 60, p. S70, doi. 10.1134/S1070428024130104
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- Publication type:
- Article
In vitro and molecular docking evaluation of black sesame seeds' anti-prostate cancer and antioxidant activity processed by nine steaming nine drying.
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- Applied Biological Chemistry, 2025, v. 68, n. 1, p. 1, doi. 10.1186/s13765-024-00965-9
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- Publication type:
- Article
Predicting the polyspecificity of aminoacyl-tRNA synthetase for non-canonical amino acids using molecular dynamics simulation and MM/PBSA.
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- PLoS ONE, 2025, v. 20, n. 1, p. 1, doi. 10.1371/journal.pone.0316907
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- Publication type:
- Article
Evaluating the Cardioprotective Efficacy of Diosmin against LPS-Induced Cardiac Dysfunction: In Silico Docking and Experimental Investigations.
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- Pakistan Veterinary Journal, 2024, v. 44, n. 4, p. 1201, doi. 10.29261/pakvetj/2024.288
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- Publication type:
- Article
Effect of Eugenol on Detrusor Muscle: Potential for Overactive Bladder Treatment.
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- International Neurourology Journal, 2024, v. 28, n. 4, p. 253, doi. 10.5213/inj.2448326.163
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- Article
Network pharmacological analysis and in vitro testing of the rutin effects on triple-negative breast cancer.
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- Open Medicine, 2025, v. 20, n. 1, p. 1, doi. 10.1515/med-2024-1079
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- Article
Theoretical studies on the antioxidant activity of potential marine xanthones.
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- Free Radical Research, 2024, v. 58, n. 12, p. 826, doi. 10.1080/10715762.2024.2438918
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- Article
基于网络药理学与分子对接探讨黄芪-丹参药对治疗 糖尿病肾病、高血压肾病“异病同治”的作用机制.
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- Evaluation & Analysis of Drug-Use in Hospitals of China / Zhongguo Yiyuan Yongyao Pingjia yu Fenxi, 2024, v. 24, n. 12, p. 1429, doi. 10.14009/j.issn.1672-2124.2024.12.005
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- Article
In vitro inhibition potency of malononitrile derivatives on the activity of two pentose phosphate pathway enzymes: accompanied by molecular docking evaluation.
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- Zeitschrift für Naturforschung. Section C: A Journal of Biosciences, 2025, v. 80, n. 1/2, p. 33, doi. 10.1515/znc-2023-0164
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- Article
Synthesis, antimicrobial screening and computational study of some 3,5-diamino-4-(2'-nitrophenylazo)-1-aryl/heteroarylpyrazoles.
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- ARKIVOC: Online Journal of Organic Chemistry, 2024, v. 2024, p. 1, doi. 10.24820/ark.5550190.p012.327
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- Article
Synthesis, cytotoxicity and molecular docking study of novel acid amine coupling derivatives.
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- ARKIVOC: Online Journal of Organic Chemistry, 2024, v. 2024, p. 1, doi. 10.24820/ark.5550190.p012.315
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- Publication type:
- Article
Trisodium citrate dihydrate catalyzed one-pot four component synthesis of spiropyrano-indenoquinoxaline derivatives and their molecular docking analysis on the anti-cancer efficacies.
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- ARKIVOC: Online Journal of Organic Chemistry, 2024, v. 2024, p. 1, doi. 10.24820/ark.5550190.p012.203
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- Publication type:
- Article
Synthesis, In vitro anticancer activity and molecular docking studies on some.
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- ARKIVOC: Online Journal of Organic Chemistry, 2024, v. 2024, p. 1, doi. 10.24820/ark.5550190.p012.189
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- Publication type:
- Article
Headspace SPME-GC-MS Analysis and in silico Molecular Docking Studies of Phytochemical Compounds Present in Houttuynia cordata Thunb.
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- 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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- Publication type:
- 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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- Publication type:
- 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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- Publication type:
- 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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- Publication type:
- 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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- Publication type:
- 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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- Publication type:
- 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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- Publication type:
- 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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- Publication type:
- Article
In vitro assays identified thiohydantoins with anti-trypanosomatid activity and molecular modelling studies indicated possible selective CYP51 inhibition.
- Published in:
- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-024-84697-2
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- Publication type:
- Article
Deep learning-based discovery of compounds for blood pressure lowering effects.
- Published in:
- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-024-83924-0
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- Publication type:
- Article
Elucidating the mechanism of stigmasterol in acute pancreatitis treatment: insights from network pharmacology and in vitro / in vivo experiments.
- Published in:
- Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2024.1485915
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- Publication type:
- 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.
- Published in:
- Frontiers in Immunology, 2025, p. 1, doi. 10.3389/fimmu.2024.1480542
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- Publication type:
- Article
Immunomodulatory insights of monoterpene glycosides in endometriosis: immune infiltration and target pathways analysis.
- Published in:
- Hereditas, 2025, v. 162, n. 1, p. 1, doi. 10.1186/s41065-024-00354-8
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- Publication type:
- Article