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The publication data currently available has been vetted by Vanderbilt faculty, staff, administrators and trainees. The data itself is retrieved directly from NCBI's PubMed and is automatically updated on a weekly basis to ensure accuracy and completeness.

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Results: 1 to 10 of 613

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N-[F]-Fluoroacetylcrizotinib: A potentially potent and selective PET tracer for molecular imaging of non-small cell lung cancer.
Buck JR, Saleh S, Claus T, Lovly C, Hight MR, Nickels ML, Noor Tantawy M, Charles Manning H
(2020) Bioorg Med Chem Lett 30: 127257
MeSH Terms: Anaplastic Lymphoma Kinase, Carcinoma, Non-Small-Cell Lung, Cell Line, Tumor, Cell Proliferation, Crizotinib, Dose-Response Relationship, Drug, Fluorine Radioisotopes, Humans, Lung Neoplasms, Molecular Imaging, Molecular Structure, Positron-Emission Tomography, Protein Kinase Inhibitors, Structure-Activity Relationship
Added September 10, 2020
0 Communities
1 Members
0 Resources
14 MeSH Terms
Structural analysis of lecithin:cholesterol acyltransferase bound to high density lipoprotein particles.
Manthei KA, Patra D, Wilson CJ, Fawaz MV, Piersimoni L, Shenkar JC, Yuan W, Andrews PC, Engen JR, Schwendeman A, Ohi MD, Tesmer JJG
(2020) Commun Biol 3: 28
MeSH Terms: Binding Sites, Catalytic Domain, Lipoproteins, HDL, Lysine, Mass Spectrometry, Models, Molecular, Multiprotein Complexes, Phosphatidylcholine-Sterol O-Acyltransferase, Protein Binding, Protein Conformation, Recombinant Proteins, Structure-Activity Relationship
Added March 3, 2020
0 Communities
1 Members
0 Resources
12 MeSH Terms
Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
Tian J, Teuscher KB, Aho ER, Alvarado JR, Mills JJ, Meyers KM, Gogliotti RD, Han C, Macdonald JD, Sai J, Shaw JG, Sensintaffar JL, Zhao B, Rietz TA, Thomas LR, Payne WG, Moore WJ, Stott GM, Kondo J, Inoue M, Coffey RJ, Tansey WP, Stauffer SR, Lee T, Fesik SW
(2020) J Med Chem 63: 656-675
MeSH Terms: Antineoplastic Agents, Bridged Bicyclo Compounds, Heterocyclic, Cell Cycle, Cell Line, Tumor, Cell Proliferation, Chromatin, Crystallography, X-Ray, Drug Design, Drug Discovery, Epigenetic Repression, Genes, myc, Humans, Intracellular Signaling Peptides and Proteins, Quinolones, Structure-Activity Relationship, WD40 Repeats
Added March 3, 2020
0 Communities
1 Members
0 Resources
16 MeSH Terms
Discovery of structurally distinct tricyclic M positive allosteric modulator (PAM) chemotypes.
Temple KJ, Long MF, Engers JL, Watson KJ, Chang S, Luscombe VB, Rodriguez AL, Niswender CM, Bridges TM, Conn PJ, Engers DW, Lindsley CW
(2020) Bioorg Med Chem Lett 30: 126811
MeSH Terms: Allosteric Regulation, Animals, Drug Design, Half-Life, Humans, Inhibitory Concentration 50, Pyridazines, Quinazolines, Rats, Receptor, Muscarinic M4, Structure-Activity Relationship, Triazoles
Added March 3, 2020
0 Communities
1 Members
0 Resources
12 MeSH Terms
Discovery of a novel 2,3-dimethylimidazo[1,2-a]pyrazine-6-carboxamide M positive allosteric modulator (PAM) chemotype.
Temple KJ, Engers JL, Long MF, Watson KJ, Chang S, Luscombe VB, Jenkins MT, Rodriguez AL, Niswender CM, Bridges TM, Conn PJ, Engers DW, Lindsley CW
(2020) Bioorg Med Chem Lett 30: 126812
MeSH Terms: Allosteric Regulation, Drug Design, Drug Evaluation, Preclinical, Humans, Imidazoles, Kinetics, Protein Binding, Pyrazines, Receptor, Muscarinic M4, Structure-Activity Relationship
Added March 3, 2020
0 Communities
1 Members
0 Resources
10 MeSH Terms
Quantum dots reveal heterogeneous membrane diffusivity and dynamic surface density polarization of dopamine transporter.
Kovtun O, Tomlinson ID, Ferguson RS, Rosenthal SJ
(2019) PLoS One 14: e0225339
MeSH Terms: Algorithms, Animals, Cell Membrane, Dopamine Plasma Membrane Transport Proteins, HEK293 Cells, Humans, Models, Theoretical, Quantum Dots, Reproducibility of Results, Structure-Activity Relationship
Added March 30, 2020
0 Communities
1 Members
0 Resources
MeSH Terms
A new chemotype with promise against Trypanosoma cruzi.
Wang X, Cal M, Kaiser M, Buckner FS, Lepesheva GI, Sanford AG, Wallick AI, Davis PH, Vennerstrom JL
(2020) Bioorg Med Chem Lett 30: 126778
MeSH Terms: Animals, Chagas Disease, Humans, Structure-Activity Relationship, Trypanocidal Agents, Trypanosoma cruzi
Added July 2, 2021
0 Communities
1 Members
0 Resources
MeSH Terms
An anthrone-based Kv7.2/7.3 channel blocker with improved properties for the investigation of psychiatric and neurodegenerative disorders.
Porter JD, Vivas O, Weaver CD, Alsafran A, DiMilo E, Arnold LA, Dickson EJ, Dockendorff C
(2019) Bioorg Med Chem Lett 29: 126681
MeSH Terms: Anthracenes, Dose-Response Relationship, Drug, KCNQ2 Potassium Channel, KCNQ3 Potassium Channel, Mental Disorders, Molecular Structure, Neurodegenerative Diseases, Potassium Channel Blockers, Structure-Activity Relationship
Added March 27, 2020
0 Communities
1 Members
0 Resources
9 MeSH Terms
Discovery of a novel 3,4-dimethylcinnoline carboxamide M positive allosteric modulator (PAM) chemotype via scaffold hopping.
Temple KJ, Engers JL, Long MF, Gregro AR, Watson KJ, Chang S, Jenkins MT, Luscombe VB, Rodriguez AL, Niswender CM, Bridges TM, Conn PJ, Engers DW, Lindsley CW
(2019) Bioorg Med Chem Lett 29: 126678
MeSH Terms: Allosteric Regulation, Amides, Azetidines, Benzene, Molecular Structure, Protein Binding, Pyrazines, Pyridines, Pyrimidines, Receptor, Muscarinic M4, Structure-Activity Relationship
Added March 3, 2020
0 Communities
1 Members
0 Resources
11 MeSH Terms
Upgraded molecular models of the human KCNQ1 potassium channel.
Kuenze G, Duran AM, Woods H, Brewer KR, McDonald EF, Vanoye CG, George AL, Sanders CR, Meiler J
(2019) PLoS One 14: e0220415
MeSH Terms: Humans, Hydrogen Bonding, KCNQ1 Potassium Channel, Lipids, Loss of Function Mutation, Models, Molecular, Molecular Docking Simulation, Molecular Dynamics Simulation, Protein Binding, Protein Conformation, Structure-Activity Relationship
Added March 21, 2020
0 Communities
1 Members
0 Resources
MeSH Terms