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Target-Based Virtual Screening of Natural Compounds Identifies a Potent Antimalarial With Selective Falcipain-2 Inhibitory Activity.
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- Frontiers in Pharmacology, 2022, v. 13, p. 1, doi. 10.3389/fphar.2022.850176
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- Article
Integrated spectroscopic and computational analyses unravel the molecular interaction of pesticide azinphos‐methyl with bovine beta‐lactoglobulin.
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- Journal of Molecular Recognition, 2024, v. 37, n. 4, p. 1, doi. 10.1002/jmr.3086
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- Article
An integrated docking and molecular dynamics simulation approach to discover potential inhibitors of activin receptor‐like kinase 1.
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- Journal of Molecular Recognition, 2024, v. 37, n. 2, p. 1, doi. 10.1002/jmr.3069
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- Article
Investigating the binding mechanism of topiramate with bovine serum albumin using spectroscopic and computational methods.
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- Journal of Molecular Recognition, 2022, v. 35, n. 7, p. 1, doi. 10.1002/jmr.2958
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- Article
In Vitro Anti-Diabetic, Anti-Inflammatory, Antioxidant Activities and Toxicological Study of Optimized Psychotria malayana Jack Leaves Extract.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 12, p. 1692, doi. 10.3390/ph16121692
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Multitargeted Virtual Screening and Molecular Simulation of Natural Product-like Compounds against GSK3β, NMDA-Receptor, and BACE-1 for the Management of Alzheimer's Disease.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 4, p. 622, doi. 10.3390/ph16040622
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- Article
Biomarker Quantification, Spectroscopic, and Molecular Docking Studies of the Active Compounds Isolated from the Edible Plant Sisymbrium irio L.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 4, p. 498, doi. 10.3390/ph16040498
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GC-MS- and NMR-Based Metabolomics and Molecular Docking Reveal the Potential Alpha-Glucosidase Inhibitors from Psychotria malayana Jack Leaves.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 10, p. 978, doi. 10.3390/ph14100978
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Design and Development of Novel Urea, Sulfonyltriurea, and Sulfonamide Derivatives as Potential Inhibitors of Sphingosine Kinase 1.
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- Pharmaceuticals (14248247), 2020, v. 13, n. 6, p. 118, doi. 10.3390/ph13060118
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Evaluation of Binding of Rosmarinic Acid with Human Transferrin and Its Impact on the Protein Structure: Targeting Polyphenolic Acid-Induced Protection of Neurodegenerative Disorders.
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- Oxidative Medicine & Cellular Longevity, 2020, p. 1, doi. 10.1155/2020/1245875
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Identification of Potential Inhibitors of Calcium/Calmodulin-Dependent Protein Kinase IV from Bioactive Phytoconstituents.
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- Oxidative Medicine & Cellular Longevity, 2020, p. 1, doi. 10.1155/2020/2094635
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- Article
Ethyl Acetate Fraction of Anethum graveolens Seeds Exerts an Antiproliferative Effect by Inhibiting Anti-apoptotic Proteins in MCF-7 and PC-3 Cells: An in vitro and Molecular Docking Study.
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- Pharmacognosy Magazine, 2021, v. 17, p. S105, doi. 10.4103/pm.pm_538_20
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- Article
Identification of natural compounds (proanthocyanidin and rhapontin) as high-affinity inhibitors of SARS-CoV-2 Mpro and PLpro using computational strategies.
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- Archives of Medical Science, 2024, v. 20, n. 2, p. 567, doi. 10.5114/aoms/133706
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- Article
Ellagic Acid Controls Cell Proliferation and Induces Apoptosis in Breast Cancer Cells via Inhibition of Cyclin-Dependent Kinase 6.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 10, p. 3526, doi. 10.3390/ijms21103526
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Insight of the Interaction between 2,4-thiazolidinedione and Human Serum Albumin: A Spectroscopic, Thermodynamic and Molecular Docking Study.
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- International Journal of Molecular Sciences, 2019, v. 20, n. 11, p. 2727, doi. 10.3390/ijms20112727
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- Article
High-Throughput Virtual Screening, Molecular Dynamics Simulation, and Enzyme Kinetics Identified ZINC84525623 as a Potential Inhibitor of NDM-1.
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- International Journal of Molecular Sciences, 2019, v. 20, n. 4, p. 819, doi. 10.3390/ijms20040819
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- Article
Design, Synthesis, and Biological Evaluation of Benzimidazole-Derived Biocompatible Copper(II) and Zinc(II) Complexes as Anticancer Chemotherapeutics.
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- International Journal of Molecular Sciences, 2018, v. 19, n. 5, p. 1492, doi. 10.3390/ijms19051492
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Phytochemical analysis and evaluation of the cytotoxic, antimicrobial and antioxidant activities of essential oils from three Plectranthus species grown in Saudi Arabia.
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- BMC Complementary & Alternative Medicine, 2018, v. 18, n. 1, p. 1, doi. 10.1186/s12906-018-2302-x
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- Article
Structural Diversity, LC-MS-MS Analysis and Potential Biological Activities of Brevibacillus laterosporus Extract.
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- Metabolites (2218-1989), 2022, v. 12, n. 11, p. 1102, doi. 10.3390/metabo12111102
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In Vitro Induction of Apoptosis in Isolated Acute Myeloid Leukemia Cells: The Role of Anastatica hierochuntica Methanolic Extract.
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- Metabolites (2218-1989), 2022, v. 12, n. 9, p. 878, doi. 10.3390/metabo12090878
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Analyzing the Effect of Vaccination Over COVID Cases and Deaths in Asian Countries Using Machine Learning Models.
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- Frontiers in Cellular & Infection Microbiology, 2022, v. 12, p. 1, doi. 10.3389/fcimb.2021.806265
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- Article
Green synthesis of Fe<sub>3</sub>O<sub>4</sub> nanoparticles using aqueous extracts of Pandanus odoratissimus leaves for efficient bifunctional electro-catalytic activity.
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- Applied Nanoscience, 2018, v. 8, n. 6, p. 1427, doi. 10.1007/s13204-018-0795-8
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- Article
Bioflavonoid (Hesperidin) Restrains Protein Oxidation and Advanced Glycation End Product Formation by Targeting AGEs and Glycolytic Enzymes.
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- Cell Biochemistry & Biophysics, 2021, v. 79, n. 4, p. 833, doi. 10.1007/s12013-021-00997-8
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- Article
Trehalose Restrains the Fibril Load towards α-Lactalbumin Aggregation and Halts Fibrillation in a Concentration-Dependent Manner.
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- Biomolecules (2218-273X), 2021, v. 11, n. 3, p. 414, doi. 10.3390/biom11030414
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- Article
Nitric Oxide Enhances Photosynthetic Nitrogen and Sulfur-Use Efficiency and Activity of Ascorbate-Glutathione Cycle to Reduce High Temperature Stress-Induced Oxidative Stress in Rice (Oryza sativa L.) Plants.
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- Biomolecules (2218-273X), 2021, v. 11, n. 2, p. 305, doi. 10.3390/biom11020305
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Insights into the Conserved Regulatory Mechanisms of Human and Yeast Aging.
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- Biomolecules (2218-273X), 2020, v. 10, n. 6, p. 882, doi. 10.3390/biom10060882
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- Article
MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer's Disease Therapy.
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- Biomolecules (2218-273X), 2020, v. 10, n. 5, p. 789, doi. 10.3390/biom10050789
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- Article
Alpha-Amylase and Alpha-Glucosidase Enzyme Inhibition and Antioxidant Potential of 3-Oxolupenal and Katononic Acid Isolated from Nuxia oppositifolia.
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- Biomolecules (2218-273X), 2020, v. 10, n. 1, p. 1, doi. 10.3390/biom10010061
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- Article
Overview of Bee Pollination and Its Economic Value for Crop Production.
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- Insects (2075-4450), 2021, v. 12, n. 8, p. 688, doi. 10.3390/insects12080688
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Synthesis and Antibacterial Aspects of Graphitic C3N4@Polyaniline Composites.
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- Coatings (2079-6412), 2020, v. 10, n. 10, p. 950, doi. 10.3390/coatings10100950
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Targeting the Sphingosine Kinase/Sphingosine-1-Phosphate Signaling Axis in Drug Discovery for Cancer Therapy.
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- Cancers, 2021, v. 13, n. 8, p. 1898, doi. 10.3390/cancers13081898
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Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 main protease: possible implication in COVID-19 therapy.
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- Bioscience Reports, 2020, v. 40, n. 6, p. 1, doi. 10.1042/BSR20201256
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Structural and functional impact of non-synonymous SNPs in the CST complex subunit TEN1: structural genomics approach.
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- Bioscience Reports, 2019, v. 39, n. 5, p. 1, doi. 10.1042/BSR20190312
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Rationalizing the Role of Monosodium Glutamate in the Protein Aggregation Through Biophysical Approaches: Potential Impact on Neurodegeneration.
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- Frontiers in Neuroscience, 2021, v. 14, p. N.PAG, doi. 10.3389/fnins.2021.636454
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- Article
Antimycobacterial Activity and Safety Profile Assessment of Alpinia galanga and Tinospora cordifolia.
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- Evidence-based Complementary & Alternative Medicine (eCAM), 2018, v. 2018, p. 1, doi. 10.1155/2018/2934583
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- Article
In Silico Identification of Novel Derivatives of Rifampicin Targeting Ribonuclease VapC2 of M. tuberculosis H37Rv: Rifampicin Derivatives Target VapC2 of Mtb H37Rv.
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- Molecules, 2023, v. 28, n. 4, p. 1652, doi. 10.3390/molecules28041652
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- Article
Identification of a Potential Inhibitor (MCULE-8777613195-0-12) of New Delhi Metallo-β-Lactamase-1 (NDM-1) Using In Silico and In Vitro Approaches.
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- Molecules, 2022, v. 27, n. 18, p. 5930, doi. 10.3390/molecules27185930
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- Article
Phytochemical Analysis, Antispasmodic, Myorelaxant, and Antioxidant Effect of Dysphania ambrosioides (L.) Mosyakin and Clemants Flower Hydroethanolic Extracts and Its Chloroform and Ethyl Acetate Fractions.
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- Molecules, 2021, v. 26, n. 23, p. 7300, doi. 10.3390/molecules26237300
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Sidr Honeys Physical and Chemical Characterization, a Comprehensive Approach through LC-MS/MS, NMR, and GC-MS Analysis.
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- Separations (2297-8739), 2023, v. 10, n. 7, p. 372, doi. 10.3390/separations10070372
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- Article
Study of the Binding of Cuminaldehyde with Bovine Serum Albumin by Spectroscopic and Molecular Modeling Methods.
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- Journal of Spectroscopy, 2023, p. 1, doi. 10.1155/2023/4191046
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- Article
Treatment of nitric oxide supplemented with nitrogen and sulfur regulates photosynthetic performance and stomatal behavior in mustard under salt stress.
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- Physiologia Plantarum, 2020, v. 168, n. 2, p. 490, doi. 10.1111/ppl.13056
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- Article
Targeting cyclin‐dependent kinase 6 by vanillin inhibits proliferation of breast and lung cancer cells: Combined computational and biochemical studies.
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- Journal of Cellular Biochemistry, 2021, v. 122, n. 8, p. 897, doi. 10.1002/jcb.29921
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Effects of Pro1266Leu mutation on structure and function of glycoprotein Ib binding domain of von Willebrand factor.
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- Journal of Cellular Biochemistry, 2019, v. 120, n. 10, p. 17847, doi. 10.1002/jcb.29052
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- Article
Hesperidin‐CAMKIV interaction and its impact on cell proliferation and apoptosis in the human hepatic carcinoma and neuroblastoma cells.
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- Journal of Cellular Biochemistry, 2019, v. 120, n. 9, p. 15119, doi. 10.1002/jcb.28774
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Investigation of deleterious effects of nsSNPs in the POT1 gene: a structural genomics‐based approach to understand the mechanism of cancer development.
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- Journal of Cellular Biochemistry, 2019, v. 120, n. 6, p. 10281, doi. 10.1002/jcb.28312
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- Article
Advanced Characterization of Organic Matter Decaying during Composting of Industrial Waste Using Spectral Methods.
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- Processes, 2021, v. 9, n. 8, p. 1364, doi. 10.3390/pr9081364
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- Article
Genotoxicity inhibition by Syzygium cumini (L.) seed fraction and rutin: understanding the underlying mechanism of DNA protection.
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- Toxicology Research, 2018, v. 7, n. 2, p. 156, doi. 10.1039/c7tx00269f
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- Article
Seed Extract of Psoralea corylifolia and Its Constituent Bakuchiol Impairs AHL-Based Quorum Sensing and Biofilm Formation in Food- and Human-Related Pathogens.
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- Frontiers in Cellular & Infection Microbiology, 2018, v. 8, p. N.PAG, doi. 10.3389/fcimb.2018.00351
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Supramolecular separation mechanism of pentafluorophenyl column using ibuprofen and omeprazole as markers: LC‐MS and simulation study.
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- Biomedical Chromatography, 2018, v. 32, n. 6, p. 1, doi. 10.1002/bmc.4206
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- Article
Ethylene reduces glucose sensitivity and reverses photosynthetic repression through optimization of glutathione production in salt-stressed wheat (Triticum aestivum L.).
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-92086-2
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- Article