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Current Medicinal Chemistry, ISSN 0929-8673, 10/2017, Volume 24, Issue 34, pp. 3774 - 3812
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 11/2012, Volume 52, Issue 11, p. 2848
  The selection of active compounds for chemical optimization efforts typically requires the consideration of multiple properties beyond potency. Herein we... 
Genotype & phenotype | Optimization techniques | Metabolism | Chemical compounds
Journal Article
Current Medicinal Chemistry, ISSN 0929-8673, 08/2016, Volume 23, Issue 29, pp. 3404 - 3447
Journal Article
Current Medicinal Chemistry, ISSN 0929-8673, 08/2016, Volume 23, Issue 29, p. 3404
Hepatitis C virus (HCV) is a causative agent of hepatitis C infectious disease that primarily affects the liver, ranging in severity from a mild illness... 
Molecular structure | Peptides | Liver | Serine | Viruses | Genomes | Proteinase inhibitors | Infections | Structure-activity relationships | Ribonucleic acid--RNA | Substrates | Molecular docking | Proteins | Hepatitis | Infectious diseases | Protease inhibitors | Protease | Peptidomimetics | Serine proteinase | Hepatitis C virus | Hepatitis C | Cellular structure
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 04/2012, Volume 52, Issue 4, p. 927
Activity cliffs are formed by structurally similar compounds having large potency differences. Coordinated activity cliffs evolve when compounds within groups... 
Analytical chemistry | Charged particles | Chemical compounds | Optimization
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 09/2018, Volume 61, Issue 17, pp. 7395 - 7418
Melanins are pigment molecules that determine the skin, eye, and hair color of the human subject to its amount, quality, and distribution. Melanocytes... 
B16 MELANOMA-CELLS | PROTEIN-KINASE-A | POTENTIAL TYROSINASE INHIBITORS | IN-VITRO | CHEMISTRY, MEDICINAL | MUSHROOM TYROSINASE | SPLIT-FACE TRIAL | MAPK SIGNALING PATHWAY | DOWN-REGULATION | 4-N-BUTYLRESORCINOL 0.1-PERCENT CREAM | P-COUMARIC ACID
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 2019, Volume 62, Issue 10, pp. 4851 - 4883
Human immunodeficiency virus (HIV) infection is now pandemic. Targeting HIV-1 reverse transcriptase (HIV-1 RT) has been considered as one of the most... 
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 12/2013, Volume 53, Issue 12, p. 3131
  Activity cliffs are formed by structurally similar or analogous compounds having large potency differences. In medicinal chemistry, pairs or groups of... 
Chemistry | Chemical compounds | Optimization
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 09/2018, Volume 61, Issue 17, pp. 7952 - 7976
Several members of the ABC transporter superfamily play a decisive role in the development of multidrug resistance (MDR) in cancer. One of these MDR associated... 
TYROSINE KINASE INHIBITORS | FUNCTIONAL ASSAY | SUBSTRATE-SPECIFICITY | CHEMISTRY, MEDICINAL | PROTEIN BCRP/ABCG2 | BIOLOGICAL EVALUATION | DRUG-RESISTANCE | MULTIDRUG TRANSPORTER ABCG2 | SELECTIVE BCRP INHIBITORS | CELL-LINES | BREAST-CANCER RESISTANCE
Journal Article
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 01/2018, Volume 8, Issue 1, pp. e1328 - n/a
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 10/2017, Volume 60, Issue 20, pp. 8425 - 8440
A homology model of the nucleotide-activated P2Y2R was created based on the X-ray structures of the P2Y1 receptor. Docking studies were performed, and receptor... 
Journal Article
Archiv der Pharmazie, ISSN 0365-6233, 04/2017, Volume 350, Issue 3-4, p. 1700003
Journal Article
JOURNAL OF MEDICINAL CHEMISTRY, ISSN 0022-2623, 05/2019, Volume 62, Issue 9, pp. 4383 - 4400
A virtual screening protocol with combination of similarity search and pharmacophore modeling was applied to virtually screen a large compound library to gain... 
TYROSINE KINASE INHIBITORS | POTENT INHIBITOR | CHEMISTRY, MEDICINAL | MEDIATED MULTIDRUG-RESISTANCE | BIOLOGICAL EVALUATION | SELECTIVE INHIBITORS | RESISTANCE-ASSOCIATED PROTEIN-1 | DRUG-RESISTANCE | CELL-LINES | PYRROLOPYRIMIDINE DERIVATIVES | P-GLYCOPROTEIN
Journal Article
Journal of medicinal chemistry, ISSN 0022-2623, 05/2019
Introducing novel strategies, concepts, and technologies that speed up drug discovery and the drug development cycle is of great importance both in the highly... 
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 05/2018, Volume 61, Issue 10, pp. 4301 - 4316
Fluorescent ligands represent powerful tools for biological studies and are considered attractive alternatives to radioligands. In this study, we developed... 
Journal Article
Journal of medicinal chemistry, ISSN 0022-2623, 03/2019, Volume 62, Issue 8, pp. 4032 - 4055
The A2B adenosine receptor (A2BAR) was proposed as a novel target for the (immuno)therapy of cancer since A2BAR blockade results in antiproliferative,... 
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 04/2017, Volume 60, Issue 7, pp. 3020 - 3038
P2Y4 is a Gq protein-coupled receptor activated by uridine-5′-triphosphate (UTP), which is widely expressed in the body, e.g., in intestine, heart, and brain.... 
Journal Article
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