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Angewandte Chemie (International ed. in English), 06/2017, Volume 56, Issue 27, p. 7971
Privileged structures inspire compound library design in medicinal chemistry. We performed a comprehensive analysis of 1.4 million bioactive compounds, with... 
Journal Article
Molecular Informatics, ISSN 1868-1743, 07/2019, Volume 38, Issue 7, pp. 1980701 - n/a
The cover picture shows the increase in uncertainty and loss of coverage on the vertices and edges, respectively, of a monopartite protein network projected... 
systems biology | computational toxicology | drug discovery | polypharmacology
Journal Article
NUCLEIC ACIDS RESEARCH, ISSN 0305-1048, 07/2019, Volume 47, Issue W1, pp. W357 - W364
Swiss Target Prediction is a web tool, on-line since 2014, that aims to predict the most probable protein targets of small molecules. Predictions are based on... 
POLYPHARMACOLOGY | BIOCHEMISTRY & MOLECULAR BIOLOGY | ELECTROSHAPE | TOOL
Journal Article
by Cerisier and Petitjean and Regad and Bayard and Réau and Badel and Camproux
Molecules, ISSN 1420-3049, 07/2019, Volume 24, Issue 14, p. 2529
The literature focuses on drug promiscuity, which is a drug's ability to bind to several targets, because it plays an essential role in polypharmacology.... 
descriptors | proteochemometrics | druggable binding site | multi-targets | polypharmacology | drug promiscuity
Journal Article
Medicinal Research Reviews, ISSN 0198-6325, 07/2015, Volume 35, Issue 4, pp. 790 - 848
Journal Article
ONCOTARGET, ISSN 1949-2553, 02/2017, Volume 8, Issue 8, pp. 12534 - 12535
Journal Article
Pharmacological Research, ISSN 1043-6618, 10/2015, Volume 100, pp. 255 - 260
Cancer is a disease that is a “moving target”, since as the condition progresses, the molecular targets change and evolve. Moreover, due to clonal selection, a... 
Resistance | Polypharmacology | Metastasis | Tumor growth | Thiosemicarbazones | DpC
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 11/2016, Volume 59, Issue 22, pp. 10285 - 10290
In PubChem screening assays, 466 highly promiscuous compounds were identified that were examined for known pan-assay interference compounds (PAINS) and... 
CHEMISTRY, MEDICINAL | DISCOVERY | PAINS | Small Molecule Libraries - chemistry | Molecular Structure | Polypharmacology | Drug Evaluation, Preclinical | Index Medicus
Journal Article
Molecular cancer therapeutics, ISSN 1535-7163, 6/2017, Volume 16, Issue 6, pp. 1054 - 1067
Synergistic action of kinase and BET bromodomain inhibitors in cell killing has been reported for a variety of cancers. Using the chemical scaffold of the JAK2... 
bromodomains | kinases | drug resistance | polypharmacology | Rational drug design
Journal Article
ChemMedChem, ISSN 1860-7179, 01/2019, Volume 14, Issue 2, pp. 189 - 189
The Front Cover illustrates the chemical space distance relationship between an angiogenesis inhibitory triazine identified in a phenotypic screen (structure... 
phenotypic screening | target prediction | kinase inhibitors | angiogenesis | polypharmacology
Journal Article
by Liang, XW and Zang, J and Li, XY and Tang, S and Huang, M and Geng, MY and Chou, CJ and Li, CP and Cao, YC and Xu, WF and Liu, H and Zhang, YJ
JOURNAL OF MEDICINAL CHEMISTRY, ISSN 0022-2623, 04/2019, Volume 62, Issue 8, pp. 3898 - 3923
Concurrent inhibition of Janus kinase (JAK) and histone deacetylase (HDAC) could potentially improve the efficacy of the HDAC inhibitors in the treatment of... 
MYELOFIBROSIS | POLYCYTHEMIA-VERA | ACTIVATION | POLYPHARMACOLOGY | DESIGN | CHEMISTRY, MEDICINAL | MUTATION | GROWTH | RESISTANCE | MECHANISMS | CHALLENGES
Journal Article
Current Drug Targets, ISSN 1389-4501, 04/2017, Volume 18, Issue 5, pp. 522 - 533
Journal Article
Methods in Molecular Biology, ISSN 1064-3745, 2019, Volume 1888, pp. 205 - 217
Journal Article
Angewandte Chemie (International ed. in English), ISSN 1433-7851, 7/2015, Volume 54, Issue 30, pp. 8717 - 8721
Oncogenic conversion of the RET (rearranged during transfection) tyrosine kinase is associated with several cancers. A fragment-based chemical screen lead to... 
RET | VEGFR2 | Synergistic Medicinal Chemistry | Polypharmacology | Kinase inhibitor
Journal Article
2019, ISBN 288945696X
Drug repositioning is the process of identifying new indications for existing drugs. At present, the conventional de novo drug discovery process requires an... 
database | Integrative strategies | molecular docking | polypharmacology | multi-omics | computational analysis | Drug Repositioning | data sharing | Patenting
eBook
Journal of Functional Foods, ISSN 1756-4646, 07/2018, Volume 46, pp. 490 - 503
Foods that show positive effects on health beyond basic nutrition are called functional foods of which familiar examples are propolis and . Galangin... 
Galangin | Alpinia officinarum | Polypharmacology | Flavonoid | Propolis | Functional food ingredient
Journal Article
Journal of medicinal chemistry, ISSN 0022-2623, 05/2019, Volume 62, Issue 15, pp. 6992 - 7014
Polypharmacology is a promising paradigm in modern drug discovery. Herein, we have discovered a series of novel PI3K and HDAC dual inhibitors in which the... 
IN-VITRO | POLYPHARMACOLOGY | CHEMISTRY, MEDICINAL | PI3K | PATHWAY | OPEN-LABEL | DUAL INHIBITORS | COMBINATION | CANCER | DISCOVERY | HDAC | Index Medicus
Journal Article
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