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Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria.
- Published in:
- International Journal of Molecular Sciences, 2015, v. 16, n. 7, p. 15287, doi. 10.3390/ijms160715287
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- Article
N‐(3,4‐dimethoxyphenethyl)‐6‐methyl‐2,3,4,9‐tetrahydro‐1H‐carbazol‐1‐amine inhibits bladder cancer progression by suppressing YAP1/TAZ.
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- Genes to Cells, 2022, v. 27, n. 10, p. 602, doi. 10.1111/gtc.12979
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- Article
Pharmacophore Modeling for Anti-Chagas Drug Design Using the Fragment Molecular Orbital Method.
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- PLoS ONE, 2015, v. 10, n. 5, p. 1, doi. 10.1371/journal.pone.0125829
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- Article
Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase.
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- Molecular Microbiology, 2014, v. 94, n. 6, p. 1315, doi. 10.1111/mmi.12831
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- Article
The ubiquinone synthesis pathway is a promising drug target for Chagas disease.
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- PLoS ONE, 2021, v. 16, n. 2, p. 1, doi. 10.1371/journal.pone.0243855
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- Article
Support Vector Machine model for hERG inhibitory activities based on the integrated hERG database using descriptor selection by NSGA-II.
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- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-47536-3
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- Article
kGCN: a graph-based deep learning framework for chemical structures.
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- Journal of Cheminformatics, 2020, v. 12, n. 1, p. 1, doi. 10.1186/s13321-020-00435-6
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- Article
Discovery of a small molecule inhibitor targeting dengue virus NS5 RNA-dependent RNA polymerase.
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- PLoS Neglected Tropical Diseases, 2019, v. 13, n. 11, p. 1, doi. 10.1371/journal.pntd.0007894
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- Article
Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase of Trypanosoma brucei brucei.
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- FASEB Journal, 2019, v. 33, n. 11, p. 13002, doi. 10.1096/fj.201901342R
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- Article
Recent advances in de novo design strategy for practical lead identification.
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- Medicinal Research Reviews, 2003, v. 23, n. 5, p. 606, doi. 10.1002/med.10046
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- Article
Biochemical characterization of highly active Trypanosoma brucei gambiense glycerol kinase, a promising drug target.
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- Journal of Biochemistry, 2013, v. 154, n. 1, p. 77, doi. 10.1093/jb/mvt037
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- Article
Protein–ligand binding affinity prediction of cyclin‐dependent kinase‐2 inhibitors by dynamically averaged fragment molecular orbital‐based interaction energy.
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- Journal of Computational Chemistry, 2022, v. 43, n. 20, p. 1362, doi. 10.1002/jcc.26940
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- Article
A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo.
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- Science Translational Medicine, 2013, v. 5, n. 181, p. 1, doi. 10.1126/scitranslmed.3004387
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- Article
The Open Form Inducer Approach for Structure-Based Drug Design.
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- PLoS ONE, 2016, v. 11, n. 11, p. 1, doi. 10.1371/journal.pone.0167078
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- Article
A small-molecule AdipoR agonist for type 2 diabetes and short life in obesity.
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- Nature, 2013, v. 503, n. 7477, p. 493, doi. 10.1038/nature12656
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- Article
Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
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- Nucleic Acids Research, 2022, v. 50, n. 21, p. 12543, doi. 10.1093/nar/gkac1102
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- Article
AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data.
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- Journal of Cheminformatics, 2023, v. 15, n. 1, p. 1, doi. 10.1186/s13321-023-00791-z
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Construction of an integrated database for hERG blocking small molecules.
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- PLoS ONE, 2018, p. 1, doi. 10.1371/journal.pone.0199348
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- Article
Alantolactone is a natural product that potently inhibits YAP1/TAZ through promotion of reactive oxygen species accumulation.
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- Cancer Science, 2021, v. 112, n. 10, p. 4303, doi. 10.1111/cas.15079
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Force‐field parametrization based on radial and energy distribution functions.
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- Journal of Computational Chemistry, 2019, v. 40, n. 29, p. 2577, doi. 10.1002/jcc.26035
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- Article