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In vitro and in silico studies of the inhibitory effects of some novel kojic acid derivatives on tyrosinase enzyme.
- Published in:
- Iranian Journal of Basic Medical Sciences, 2016, v. 19, n. 2, p. 131
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- Publication type:
- Article
Synthesis of Some Benzothiazole Derivatives Based on 3‐Hydroxypyridine‐4‐one and Benzaldehyde and Evaluation of Their β‐Amyloid Aggregation Inhibition Using both Experimental Methods and Molecular Dynamic Simulation.
- Published in:
- Chemistry & Biodiversity, 2023, v. 20, n. 10, p. 1, doi. 10.1002/cbdv.202301113
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- Publication type:
- Article
Design, Synthesis, Molecular Docking, and Molecular Dynamics Simulation Studies of Novel 3‐Hydroxypyridine‐4‐one Derivatives as Potential Acetylcholinesterase Inhibitors.
- Published in:
- Chemistry & Biodiversity, 2023, v. 20, n. 7, p. 1, doi. 10.1002/cbdv.202300325
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- Publication type:
- Article
A Comparative DFT Study on the Antioxidant Activity of Some Novel 3‐Hydroxypyridine‐4‐One Derivatives.
- Published in:
- Chemistry & Biodiversity, 2022, v. 19, n. 3, p. 1, doi. 10.1002/cbdv.202100703
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- Publication type:
- Article
Molecular Dynamics Simulation of Chemokine Receptors in Lipid Bilayer: A Case Study on C- C Chemokine Receptor Type 2.
- Published in:
- Chemical Biology & Drug Design, 2013, v. 82, n. 5, p. 534, doi. 10.1111/cbdd.12179
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- Publication type:
- Article
QSAR Analysis for Some Diaryl-substituted Pyrazoles as CCR2 Inhibitors by GA-Stepwise MLR.
- Published in:
- Chemical Biology & Drug Design, 2011, v. 77, n. 1, p. 75, doi. 10.1111/j.1747-0285.2010.01053.x
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- Publication type:
- Article
Quantitative Structure–Activity Relationship Studies on 2-Amino-6-arylsulfonylbenzonitriles as Human Immunodeficiency Viruses Type 1 Reverse Transcriptase Inhibitors Using Descriptors Obtained from Substituents and Whole Molecular Structures.
- Published in:
- Chemical Biology & Drug Design, 2009, v. 74, n. 4, p. 405, doi. 10.1111/j.1747-0285.2009.00871.x
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- Publication type:
- Article
QSAR Study of Antimicrobial 3-Hydroxypyridine-4-one and 3-Hydroxypyran-4-one Derivatives Using Different Chemometric Tools.
- Published in:
- International Journal of Molecular Sciences, 2008, v. 9, n. 12, p. 2407, doi. 10.3390/ijms9122407
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- Publication type:
- Article
Preparation of some novel imidazopyridine derivatives of indole as anticancer agents: one-pot multicomponent synthesis, biological evaluation and docking studies.
- Published in:
- Research on Chemical Intermediates, 2019, v. 45, n. 10, p. 5261, doi. 10.1007/s11164-019-03915-z
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- Publication type:
- Article
Anti-cancer, anti-oxidant and molecular docking studies of thiosemicarbazone indole-based derivatives.
- Published in:
- Research on Chemical Intermediates, 2019, v. 45, n. 5, p. 2827, doi. 10.1007/s11164-019-03765-9
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- Publication type:
- Article
Preparing a database of corrected protein structures important in cell signaling pathways.
- Published in:
- Research in Pharmaceutical Sciences, 2023, v. 18, n. 1, p. 67, doi. 10.4103/1735-5362.363597
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- Publication type:
- Article
Synthesis, antioxidant activity, and density functional theory study of some novel 4-[(benzo[d]thiazol-2-ylimino)methyl]phenol derivatives: a comparative approach for the explanation of their radical scavenging activities.
- Published in:
- Research in Pharmaceutical Sciences, 2021, v. 16, n. 1, p. 35, doi. 10.4103/1735-5362.305187
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- Publication type:
- Article
Synthesis and evaluation of antioxidant activity of some novel hydroxypyridinone derivatives: a DFT approach for explanation of their radical scavenging activity.
- Published in:
- Research in Pharmaceutical Sciences, 2020, v. 15, n. 6, p. 515, doi. 10.4103/1735-5362.301336
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- Publication type:
- Article
Synthesis and antileishmanial activity of antimony (V) complexes of hydroxypyranone and hydroxypyridinone ligands.
- Published in:
- Research in Pharmaceutical Sciences, 2018, v. 13, n. 2, p. 111, doi. 10.4103/1735-5362.223793
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- Publication type:
- Article
A GU-Net-based architecture predicting ligand–Protein-binding atoms.
- Published in:
- Journal of Medical Signals & Sensors, 2023, v. 13, n. 1, p. 1, doi. 10.4103/jmss.jmss_142_21
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- Publication type:
- Article
Design and Synthesis of Novel Cytotoxic Indole‐Thiosemicarbazone Derivatives: Biological Evaluation and Docking Study.
- Published in:
- Chemistry & Biodiversity, 2019, v. 16, n. 4, p. N.PAG, doi. 10.1002/cbdv.201800470
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- Publication type:
- Article
Design, Synthesis and Molecular Docking Studies of Some Tetrahydropyrimidine Derivatives as Possible Fascin Inhibitors.
- Published in:
- Chemistry & Biodiversity, 2019, v. 16, n. 2, p. N.PAG, doi. 10.1002/cbdv.201800339
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- Publication type:
- Article
Novel Catechol Derivatives of Arylimidamides as Antileishmanial Agents.
- Published in:
- Chemistry & Biodiversity, 2018, v. 15, n. 10, p. N.PAG, doi. 10.1002/cbdv.201800228
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- Publication type:
- Article
HIV‐1 Entry Inhibitors: A Review of Experimental and Computational Studies.
- Published in:
- Chemistry & Biodiversity, 2018, v. 15, n. 10, p. N.PAG, doi. 10.1002/cbdv.201800159
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- Publication type:
- Article
Design, Synthesis, and Anti‐HIV‐1 Evaluation of a Novel Series of 1,2,3,4‐Tetrahydropyrimidine‐5‐Carboxylic Acid Derivatives.
- Published in:
- Chemistry & Biodiversity, 2018, v. 15, n. 4, p. 1, doi. 10.1002/cbdv.201700502
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- Publication type:
- Article
Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel 4-[4-Arylpyridin-1(4 H)-yl]benzoic Acid Derivatives as Anti- HIV-1 Agents.
- Published in:
- Chemistry & Biodiversity, 2017, v. 14, n. 12, p. n/a, doi. 10.1002/cbdv.201700295
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- Publication type:
- Article
Discovery of novel RARα agonists using pharmacophore-based virtual screening, molecular docking, and molecular dynamics simulation studies.
- Published in:
- PLoS ONE, 2023, v. 18, n. 8, p. 1, doi. 10.1371/journal.pone.0289046
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- Publication type:
- Article
Elucidation of Molecular Mechanisms Behind the Self-Assembly Behavior of Chitosan Amphiphilic Derivatives Through Experiment and Molecular Modeling.
- Published in:
- Pharmaceutical Research, 2015, v. 32, n. 12, p. 3899, doi. 10.1007/s11095-015-1750-y
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- Publication type:
- Article
Recent Advances in the Design and Development of Non‐nucleoside Reverse Transcriptase Inhibitor Scaffolds.
- Published in:
- ChemMedChem, 2019, v. 14, n. 1, p. 52, doi. 10.1002/cmdc.201800577
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- Publication type:
- Article
Characterization of adenosine receptor in its native environment: insights from molecular dynamics simulations of palmitoylated/glycosylated, membrane-integrated human A adenosine receptor.
- Published in:
- Journal of Molecular Modeling, 2012, v. 18, n. 9, p. 4309, doi. 10.1007/s00894-012-1427-y
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- Publication type:
- Article
Synthesis of dialkyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylates and alkyl 1,4-dihydro-2,6-dimethyl-3-nitropyridine-5-carboxylates possessing a c-4 2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl (uracil) substituent to determine calcium channel modulation structure-activity relationships
- Published in:
- Journal of Heterocyclic Chemistry, 2004, v. 41, n. 2, p. 263, doi. 10.1002/jhet.5570410218
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- Publication type:
- Article
Effectiveness of budesonide-succinate-dextran conjugate as a novel prodrug of budesonide against acetic acid-induced colitis in rats.
- Published in:
- International Journal of Colorectal Disease, 2010, v. 25, n. 10, p. 1159, doi. 10.1007/s00384-010-1026-2
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- Publication type:
- Article
Accelerating Big Data Analysis through LASSO-Random Forest Algorithm in QSAR Studies.
- Published in:
- Bioinformatics, 2022, v. 38, n. 2, p. 469, doi. 10.1093/bioinformatics/btab659
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- Publication type:
- Article
Anti-HIV-1 Activity Prediction of Novel Gp41 Inhibitors Using Structure-Based Virtual Screening and Molecular Dynamics Simulation.
- Published in:
- Molecular Informatics, 2017, v. 36, n. 3, p. n/a, doi. 10.1002/minf.201600060
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- Publication type:
- Article
Synthesis and antiproliferative evaluation of some iron chelators as polyamine transporter targeting agents.
- Published in:
- Canadian Journal of Chemistry, 2019, v. 97, n. 8, p. 629, doi. 10.1139/cjc-2019-0036
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- Publication type:
- Article
Cardioprotection Potential of Some Hydroxypyridine Iron Chelators Against H<sub>2</sub>O<sub>2</sub>-Induced H9C2 Cell Injury.
- Published in:
- Türkiye Klinikleri Cardiovascular Sciences, 2017, v. 29, n. 1, p. 10, doi. 10.5336/cardiosci.2017-55134
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- Publication type:
- Article
Hantzsch-Type dihydropyridines and Biginelli-type tetra-hydropyrimidines: a review of their chemotherapeutic activities.
- Published in:
- 2015
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- Publication type:
- journal article
Hantzsch-Type Dihydropyridines and Biginelli-Type Tetrahydropyrimidines: A Review of their Chemotherapeutic Activities.
- Published in:
- Journal of Pharmacy & Pharmaceutical Sciences, 2015, v. 18, n. 1, p. 1, doi. 10.18433/j3q01v
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- Publication type:
- Article
Poly[N-(2-aminoethyl)ethyleneimine] as a new non-viral gene delivery carrier: the effect of two protonatable nitrogens in the monomer unit on gene delivery efficiency.
- Published in:
- 2014
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- Publication type:
- journal article
Poly[N-(2-aminoethyl)ethyleneimine] as a New Non-Viral Gene Delivery Carrier: The Effect of Two Protonatable Nitrogens in the Monomer Unit on Gene Delivery Efficiency.
- Published in:
- Journal of Pharmacy & Pharmaceutical Sciences, 2014, v. 17, n. 4, p. 461, doi. 10.18433/j3r015
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- Publication type:
- Article
Computer-aided design of novel antibacterial 3-hydroxypyridine-4-ones: application of QSAR methods based on the MOLMAP approach.
- Published in:
- Journal of Computer-Aided Molecular Design, 2012, v. 26, n. 3, p. 349, doi. 10.1007/s10822-012-9561-2
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- Publication type:
- Article
Identification of potential vascular endothelial growth factor receptor inhibitors via tree‐based learning modeling and molecular docking simulation.
- Published in:
- Journal of Chemometrics, 2024, v. 38, n. 7, p. 1, doi. 10.1002/cem.3545
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- Publication type:
- Article
Wound healing by topical application of antioxidant iron chelators: kojic acid and deferiprone.
- Published in:
- International Wound Journal, 2013, v. 10, n. 3, p. 260, doi. 10.1111/j.1742-481X.2012.00971.x
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- Publication type:
- Article
Synthesis, Antimicrobial Evaluation, Molecular Docking, and ADME Studies of Some Novel 3‐Hydroxypyridine‐4‐one Derivatives.
- Published in:
- ChemistrySelect, 2023, v. 8, n. 44, p. 1, doi. 10.1002/slct.202302408
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- Publication type:
- Article
3D U-Net: A voxel-based method in binding site prediction of protein structure.
- Published in:
- Journal of Bioinformatics & Computational Biology, 2021, v. 19, n. 2, p. N.PAG, doi. 10.1142/S0219720021500062
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- Publication type:
- Article
Discovery of novel direct small-molecule inhibitors targeting HIF-2α using structure-based virtual screening, molecular dynamics simulation, and MM-GBSA calculations.
- Published in:
- Molecular Diversity, 2024, v. 28, n. 3, p. 1203, doi. 10.1007/s11030-023-10650-6
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- Publication type:
- Article
The role of different sampling methods in improving biological activity prediction using deep belief network.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 4, p. 195, doi. 10.1002/jcc.24671
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- Publication type:
- Article