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Optimization of the 4-anilinoquin(az)oline scaffold as epidermal growth factor receptor (EGFR) inhibitors for chordoma utilizing a toxicology profiling assay platform.
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- Scientific Reports, 2022, v. 12, n. 1, p. 1, doi. 10.1038/s41598-022-15552-5
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- Article
Development of Pharmacophore Model for Indeno[1,2-b]indoles as Human Protein Kinase CK2 Inhibitors and Database Mining.
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- Pharmaceuticals (14248247), 2017, v. 10, n. 1, p. 8, doi. 10.3390/ph10010008
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- Article
Docking-Based 3D-QSAR Studies for 1,3,4-oxadiazol-2-one Derivatives as FAAH Inhibitors.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 11, p. 6108, doi. 10.3390/ijms22116108
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- Article
Antimicrobial and Antifungal Activity of Rare Substituted 1,2,3-Thiaselenazoles and Corresponding Matched Pair 1,2,3-Dithiazoles.
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- Antibiotics (2079-6382), 2020, v. 9, n. 7, p. 369, doi. 10.3390/antibiotics9070369
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- Article
The Effects of Sequence Variation on Genome-wide NRF2 Binding--New Target Genes and Regulatory SNPs.
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- Nucleic Acids Research, 2016, v. 44, n. 4, p. 1760, doi. 10.1093/nar/gkw052
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- Article
Discovery and in vitro Evaluation of Novel Serotonin 5‐HT<sub>2A</sub> Receptor Ligands Identified Through Virtual Screening.
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- ChemMedChem, 2024, v. 19, n. 14, p. 1, doi. 10.1002/cmdc.202400080
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- Article
Identification of 4‐Anilinoquin(az)oline as a Cell‐Active Protein Kinase Novel 3 (PKN3) Inhibitor Chemotype**.
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- ChemMedChem, 2022, v. 17, n. 12, p. 1, doi. 10.1002/cmdc.202200161
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- Article
WaterMap‐Guided Structure‐Based Virtual Screening for Acetylcholinesterase Inhibitors.
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- ChemMedChem, 2022, v. 17, n. 8, p. 1, doi. 10.1002/cmdc.202100721
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- Article
Targeting the Water Network in Cyclin G‐Associated Kinase (GAK) with 4‐Anilino‐quin(az)oline Inhibitors.
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- ChemMedChem, 2020, v. 15, n. 13, p. 1200, doi. 10.1002/cmdc.202000150
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- Article
Cover Feature: Design and Analysis of the 4‐Anilinoquin(az)oline Kinase Inhibition Profiles of GAK/SLK/STK10 Using Quantitative Structure‐Activity Relationships (ChemMedChem 1/2020).
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- ChemMedChem, 2020, v. 15, n. 1, p. 2, doi. 10.1002/cmdc.201900691
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- Article
Design and Analysis of the 4‐Anilinoquin(az)oline Kinase Inhibition Profiles of GAK/SLK/STK10 Using Quantitative Structure‐Activity Relationships.
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- ChemMedChem, 2020, v. 15, n. 1, p. 26, doi. 10.1002/cmdc.201900521
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- Article
Targeting an EGFR Water Network with 4‐Anilinoquin(az)oline Inhibitors for Chordoma.
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- ChemMedChem, 2019, v. 14, n. 19, p. 1693, doi. 10.1002/cmdc.201900428
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- Article
Investigation of the Pentathiepin Functionality as an Inhibitor of Feline Immunodeficiency Virus (FIV) via a Potential Zinc Ejection Mechanism, as a Model for HIV Infection.
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- ChemMedChem, 2019, v. 14, n. 4, p. 454, doi. 10.1002/cmdc.201800718
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- Article
Cover Feature: Structure‐Based Virtual Screening of LsrK Kinase Inhibitors to Target Quorum Sensing (ChemMedChem 22/2018).
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- ChemMedChem, 2018, v. 13, n. 22, p. 2350, doi. 10.1002/cmdc.201800697
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- Article
Structure‐Based Virtual Screening of LsrK Kinase Inhibitors to Target Quorum Sensing.
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- ChemMedChem, 2018, v. 13, n. 22, p. 2400, doi. 10.1002/cmdc.201800548
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- Article
Comparative molecular field analysis and molecular dynamics studies of α/β hydrolase domain containing 6 (ABHD6) inhibitors.
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- Journal of Molecular Modeling, 2015, v. 21, n. 10, p. 1, doi. 10.1007/s00894-015-2789-8
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- Article
Structure-function analysis indicates that sumoylation modulates DNA-binding activity of STAT1.
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- BMC Biochemistry, 2012, v. 13, n. 1, p. 20, doi. 10.1186/1471-2091-13-20
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- Article
Biochemical and Pharmacological Characterization of the Human Lymphocyte Antigen B-Associated Transcript 5 (BAT5/ABHD16A).
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- PLoS ONE, 2014, v. 9, n. 10, p. 1, doi. 10.1371/journal.pone.0109869
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- Article
Discovery of Triterpenoids as Reversible Inhibitors of α/β-hydrolase Domain Containing 12 (ABHD12).
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- PLoS ONE, 2014, v. 9, n. 5, p. 1, doi. 10.1371/journal.pone.0098286
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- Article
Free energy simulations and MMPBSA analyses on the affinity and specificity of steroid binding to antiestradiol antibody.
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- Proteins, 2004, v. 55, n. 1, p. 34, doi. 10.1002/prot.10399
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- Article
Synthesis, Structural and Behavioral Studies of Indole Derivatives D2AAK5, D2AAK6 and D2AAK7 as Serotonin 5-HT 1A and 5-HT 2A Receptor Ligands.
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- Molecules, 2023, v. 28, n. 1, p. 383, doi. 10.3390/molecules28010383
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- Article
Inversion of the roles of the nucleophile and acid/base catalysts in the covalent binding of epoxyalkyl xyloside inhibitor to the catalytic glutamates of endo-1,4-β-xylanase (XYNII): a molecular dynamics study.
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- Protein Engineering, 2000, v. 13, n. 4, p. 247, doi. 10.1093/protein/13.4.247
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- Article
SARS‐CoV‐2–host proteome interactions for antiviral drug discovery.
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- Molecular Systems Biology, 2021, v. 17, n. 11, p. 1, doi. 10.15252/msb.202110396
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- Article
Comparative and pharmacophore model for deacetylase SIRT1.
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- Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 9, p. 589, doi. 10.1007/s10822-006-9084-9
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- Article
Synthesis and Evaluation of Novel 1,2,6-Thiadiazinone Kinase Inhibitors as Potent Inhibitors of Solid Tumors.
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- Molecules, 2021, v. 26, n. 19, p. 5911, doi. 10.3390/molecules26195911
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- Article
New Insights into 4-Anilinoquinazolines as Inhibitors of Cardiac Troponin I–Interacting Kinase (TNNi3K).
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- Molecules, 2020, v. 25, n. 7, p. 1697, doi. 10.3390/molecules25071697
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- Article
Towards the Development of an In vivo Chemical Probe for Cyclin G Associated Kinase (GAK).
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- Molecules, 2019, v. 24, n. 22, p. 4016, doi. 10.3390/molecules24224016
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- Article
In Vitro and In Silico Evaluation of Bikaverin as a Potent Inhibitor of Human Protein Kinase CK2.
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- Molecules, 2019, v. 24, n. 7, p. 1380, doi. 10.3390/molecules24071380
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- Article
1,2,6-Thiadiazinones as Novel Narrow Spectrum Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CaMKK2) Inhibitors.
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- Molecules, 2018, v. 23, n. 5, p. 1221, doi. 10.3390/molecules23051221
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- Article
Whole grain intake associated molecule 5-aminovaleric acid betaine decreases β-oxidation of fatty acids in mouse cardiomyocytes.
- Published in:
- Scientific Reports, 2018, v. 8, n. 1, p. 1, doi. 10.1038/s41598-018-31484-5
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- Article
Identification and Optimization of 4‐Anilinoquinolines as Inhibitors of Cyclin G Associated Kinase.
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- ChemMedChem, 2018, v. 13, n. 1, p. 48, doi. 10.1002/cmdc.201700663
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- Article
Evaluation of Substituted 1,2,3-Dithiazoles as Inhibitors of the Feline Immunodeficiency Virus (FIV) Nucleocapsid Protein via a Proposed Zinc Ejection Mechanism.
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- ChemMedChem, 2016, v. 11, n. 19, p. 2119, doi. 10.1002/cmdc.201600260
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- Article
Optimization of 1,2,5-Thiadiazole Carbamates as Potent and Selective ABHD6 Inhibitors.
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- ChemMedChem, 2015, v. 10, n. 2, p. 253, doi. 10.1002/cmdc.201402453
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- Article
Cover Image, Volume 85, Issue 9.
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- Proteins, 2017, v. 85, n. 9, p. C1, doi. 10.1002/prot.25138
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- Article
Structural review of PPARγ in complex with ligands: Cartesian- and dihedral angle principal component analyses of X-ray crystallographic data.
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- Proteins, 2017, v. 85, n. 9, p. 1684, doi. 10.1002/prot.25325
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- Article
Molecular dynamics studies on the thermostability of family 11 xylanases.
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- PEDS: Protein Engineering, Design & Selection, 2007, v. 20, n. 11, p. 551, doi. 10.1093/protein/gzm056
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- Article
Assessment of mutation probabilities of KRAS G12 missense mutants and their long-timescale dynamics by atomistic molecular simulations and Markov state modeling.
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- PLoS Computational Biology, 2018, v. 14, n. 9, p. 1, doi. 10.1371/journal.pcbi.1006458
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- Article