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Research progress on interferon and cellular senescence.
- Published in:
- FASEB Journal, 2024, v. 38, n. 16, p. 1, doi. 10.1096/fj.202400808RR
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- Publication type:
- Article
Bavachinin, as a novel natural pan-PPAR agonist, exhibits unique synergistic effects with synthetic PPAR-γ and PPAR-α agonists on carbohydrate and lipid metabolism in db/ db and diet-induced obese mice.
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- Diabetologia, 2016, v. 59, n. 6, p. 1276, doi. 10.1007/s00125-016-3912-9
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- Publication type:
- Article
Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation.
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- Scientific Reports, 2015, v. 5, n. 1, p. 17421, doi. 10.1038/srep17421
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- Article
Combinatorial Pharmacophore Modeling of Multidrug and Toxin Extrusion Transporter 1 Inhibitors: a Theoretical Perspective for Understanding Multiple Inhibitory Mechanisms.
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- Scientific Reports, 2015, p. 13684, doi. 10.1038/srep13684
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- Publication type:
- Article
Capturing intercellular sugar-mediated ligand-receptor recognitions via a simple yet highly biospecific interfacial system.
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- Scientific Reports, 2013, p. 1, doi. 10.1038/srep02293
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- Publication type:
- Article
Erianin alleviates diabetic retinopathy by reducing retinal inflammation initiated by microglial cells via inhibiting hyperglycemia-mediated ERK1/2-NF-κB signaling pathway.
- Published in:
- FASEB Journal, 2019, v. 33, n. 11, p. 11776, doi. 10.1096/fj.201802614RRR
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- Publication type:
- Article
Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies.
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- Medicinal Research Reviews, 2018, v. 38, n. 3, p. 914, doi. 10.1002/med.21483
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- Article
Quantitative Proteomics Explore the Potential Targets and Action Mechanisms of Hydroxychloroquine.
- Published in:
- Molecules, 2022, v. 27, n. 16, p. 5175, doi. 10.3390/molecules27165175
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- Publication type:
- Article
Effect of Different Processing Methods on the Chemical Constituents of Scrophulariae Radix as Revealed by 2D NMR-Based Metabolomics.
- Published in:
- Molecules, 2022, v. 27, n. 15, p. 4687, doi. 10.3390/molecules27154687
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- Publication type:
- Article
(-)-α-Bisabolol Alleviates Atopic Dermatitis by Inhibiting MAPK and NF-κB Signaling in Mast Cell.
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- Molecules, 2022, v. 27, n. 13, p. 3985, doi. 10.3390/molecules27133985
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- Publication type:
- Article
Rhodium(III)-Catalyzed Redox-Neutral [3+3] Annulation of N-nitrosoanilines with Cyclopropenones: A Traceless Approach to Quinolin-4(1H)-One Scaffolds.
- Published in:
- Molecules, 2020, v. 25, n. 2, p. 268, doi. 10.3390/molecules25020268
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- Publication type:
- Article
Alkaloids with Nitric Oxide Inhibitory Activities from the Roots of Isatis tinctoria.
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- Molecules, 2019, v. 24, n. 22, p. 4033, doi. 10.3390/molecules24224033
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- Article
Alkaloid Enantiomers from the Roots of Isatis indigotica.
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- Molecules, 2019, v. 24, n. 17, p. 3140, doi. 10.3390/molecules24173140
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- Publication type:
- Article
Enhancement of Berberine Hypoglycemic Activity by Oligomeric Proanthocyanidins.
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- Molecules, 2018, v. 23, n. 12, p. 3318, doi. 10.3390/molecules23123318
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- Publication type:
- Article
Drug target inference by mining transcriptional data using a novel graph convolutional network framework.
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- Protein & Cell, 2022, v. 13, n. 4, p. 281, doi. 10.1007/s13238-021-00885-0
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- Publication type:
- Article
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP.
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- Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00754-4
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- Publication type:
- Article
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP.
- Published in:
- Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00754-4
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- Publication type:
- Article
Synthesis and Structure-Activity Relationships of 3-Arylisoquinolone Analogues as Highly Specific hCES2A Inhibitors.
- Published in:
- ChemMedChem, 2021, v. 16, n. 2, p. 388, doi. 10.1002/cmdc.202000581
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- Article
A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions.
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- Journal of Molecular Modeling, 2013, v. 19, n. 11, p. 5015, doi. 10.1007/s00894-013-2005-7
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- Article
In silico ADME/T modelling for rational drug design.
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- Quarterly Reviews of Biophysics, 2015, v. 48, n. 4, p. 488, doi. 10.1017/S0033583515000190
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- Publication type:
- Article
Combinatorial Pharmacophore-Based 3D-QSAR Analysis and Virtual Screening of FGFR1 Inhibitors.
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- International Journal of Molecular Sciences, 2015, v. 16, n. 6, p. 13407, doi. 10.3390/ijms160613407
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- Article
Identification of Novel Small Molecules as Inhibitors of Hepatitis C Virus by Structure-Based Virtual Screening.
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- International Journal of Molecular Sciences, 2013, v. 14, n. 11, p. 22845, doi. 10.3390/ijms141122845
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- Publication type:
- Article
Synthesis of 4-Aryl-2(5 H)-furanones by Gold(I)-Catalyzed Intramolecular Annulation.
- Published in:
- Advanced Synthesis & Catalysis, 2011, v. 353, n. 9, p. 1413, doi. 10.1002/adsc.201100069
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- Publication type:
- Article
Fragment-based prediction of skin sensitization using recursive partitioning.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 885, doi. 10.1007/s10822-011-9472-7
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- Publication type:
- Article
QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 9, p. 549, doi. 10.1007/s10822-006-9080-0
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- Publication type:
- Article
Malonyl-CoA: acyl carrier protein transacylase from Helicobacter pylori: Crystal structure and its interaction with acyl carrier protein.
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- Protein Science: A Publication of the Protein Society, 2007, v. 16, n. 6, p. 1184, doi. 10.1110/ps.072757307
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- Publication type:
- Article
Peptide deformylase is a potential target for anti- Helicobacter pylori drugs: Reverse docking, enzymatic assay, and X-ray crystallography validation.
- Published in:
- Protein Science: A Publication of the Protein Society, 2006, v. 15, n. 9, p. 2071, doi. 10.1110/ps.062238406
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- Publication type:
- Article
Ligand-binding regulation of LXR/RXR and LXR/PPAR heterodimerizations: SPR technology-based kinetic analysis correlated with molecular dynamics simulation.
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- Protein Science: A Publication of the Protein Society, 2005, v. 14, n. 3, p. 812, doi. 10.1110/ps.04951405
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- Publication type:
- Article
A New Assay Based on Fluorescence Resonance Energy Transfer to Determine the Binding Affinity of Bcl-x[subL] Inhibitors.
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- Bioscience, Biotechnology & Biochemistry, 2008, v. 72, n. 7, p. 1936, doi. 10.1271/bbb.70735
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- Article
OTTM: an automated classification tool for translational drug discovery from omics data.
- Published in:
- Briefings in Bioinformatics, 2023, v. 24, n. 5, p. 1, doi. 10.1093/bib/bbad301
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- Publication type:
- Article
Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods.
- Published in:
- Frontiers in Pharmacology, 2019, p. 1, doi. 10.3389/fphar.2019.00924
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- Article
αExtractor: a system for automatic extraction of chemical information from biomedical literature.
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- 2024
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- Publication type:
- Letter
In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion.
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- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/1758-2946-6-33
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- Article
Estimation of acute oral toxicity in rat using local lazy learning.
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- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/1758-2946-6-26
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- Publication type:
- Article
Estimation of acute oral toxicity in rat using local lazy learning.
- Published in:
- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/1758-2946-6-26
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- Publication type:
- Article
Residues on the Dimer Interface of SARS Coronavirus 3C-like Protease: Dimer Stability Characterization and Enzyme Catalytic Activity Analysis.
- Published in:
- Journal of Biochemistry, 2008, v. 143, n. 4, p. 525, doi. 10.1093/jb/mvm246
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- Publication type:
- Article
Bcl-xL Forms Two Distinct Homodimers at Non-ionic Detergents: Implications in the Dimerization of Bcl-2 Family Proteins.
- Published in:
- Journal of Biochemistry, 2008, v. 143, n. 2, p. 243, doi. 10.1093/jb/mvm216
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- Publication type:
- Article
Binding Investigation of Human 5-Lipoxygenase with Its Inhibitors by SPR Technology Correlating with Molecular Docking Simulation.
- Published in:
- Journal of Biochemistry, 2006, v. 139, n. 4, p. 715, doi. 10.1093/jb/mvj084
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- Publication type:
- Article
PDTD: a web-accessible protein database for drug target identification.
- Published in:
- BMC Bioinformatics, 2008, v. 9, p. 1, doi. 10.1186/1471-2105-9-104
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- Publication type:
- Article
Pharmacophore-directed Homology Modeling and Molecular Dynamics Simulation of G Protein-coupled Receptor: Study of Possible Binding Modes of 5-HT<sub>2C</sub> Receptor Agonists.
- Published in:
- Acta Biochimica et Biophysica Sinica, 2007, v. 39, n. 6, p. 413, doi. 10.1111/j.1745-7270.2007.00295.x
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- Publication type:
- Article
Multi-instance learning of graph neural networks for aqueous pKa prediction.
- Published in:
- Bioinformatics, 2022, v. 38, n. 3, p. 792, doi. 10.1093/bioinformatics/btab714
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- Publication type:
- Article
Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug–drug links based on graph neural network.
- Published in:
- Bioinformatics, 2021, v. 37, n. 18, p. 2930, doi. 10.1093/bioinformatics/btab191
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- Publication type:
- Article
TransformerCPI: improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments.
- Published in:
- Bioinformatics, 2020, v. 36, n. 16, p. 4406, doi. 10.1093/bioinformatics/btaa524
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- Publication type:
- Article
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules.
- Published in:
- Bioinformatics, 2019, v. 35, n. 24, p. 5354, doi. 10.1093/bioinformatics/btz519
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- Publication type:
- Article
Corrigendum: SbWRKY75- and SbWRKY41- mediated jasmonic acid signaling regulates baicalin biosynthesis.
- Published in:
- Frontiers in Plant Science, 2023, v. 14, p. 1, doi. 10.3389/fpls.2023.1302112
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- Publication type:
- Article
SbWRKY75- and SbWRKY41- mediated jasmonic acid signaling regulates baicalin biosynthesis.
- Published in:
- Frontiers in Plant Science, 2023, v. 14, p. 1, doi. 10.3389/fpls.2023.1213662
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- Publication type:
- Article
SbWRKY75- and SbWRKY41-mediated jasmonic acid signaling regulates baicalin biosynthesis.
- Published in:
- Frontiers in Plant Science, 2023, p. 1, doi. 10.3389/fpls.2023.1213662
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- Publication type:
- Article
Inhibition of Human Neutrophil Elastase by Pentacyclic Triterpenes.
- Published in:
- PLoS ONE, 2013, v. 8, n. 12, p. 1, doi. 10.1371/journal.pone.0082794
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- Publication type:
- Article
Molecular Basis of NDM-1, a New Antibiotic Resistance Determinant.
- Published in:
- PLoS ONE, 2011, v. 6, n. 8, p. 1, doi. 10.1371/journal.pone.0023606
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- Publication type:
- Article
Lys169 of Human Glucokinase Is a Determinant for Glucose Phosphorylation: Implication for the Atomic Mechanism of Glucokinase Catalysis.
- Published in:
- PLoS ONE, 2009, v. 4, n. 7, p. 1, doi. 10.1371/journal.pone.0006304
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- Article