Receptor–Ligand Interaction-Based Virtual Screening for Novel Eg5/Kinesin Spindle Protein Inhibitors

Eg5/KSP is a promising mitotic spindle target for drug discovery in cancer chemotherapy and the development of agents against fungal diseases. A range of Eg5 targeting compounds identified by in vitro or cell-based screening is currently in development. We employed structure-based virtual screening...

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Veröffentlicht in:	Journal of medicinal chemistry 2012-03, Vol.55 (6), p.2561-2573
Hauptverfasser:	Nagarajan, Shanthi, Skoufias, Dimitrios A, Kozielski, Frank, Pae, Ae Nim
Format:	Artikel
Sprache:	eng
Schlagworte:	Antineoplastic Agents - chemical synthesis Antineoplastic Agents - chemistry Antineoplastic Agents - pharmacology Cell Line, Tumor Cell Proliferation - drug effects Databases, Factual Drug Screening Assays, Antitumor Humans Imidazolidines - chemical synthesis Imidazolidines - chemistry Imidazolidines - pharmacology Kinesin - antagonists & inhibitors Kinesin - chemistry Ligands Models, Molecular Protein Binding Quinazolines - chemical synthesis Quinazolines - chemistry Quinazolines - pharmacology Spindle Apparatus - drug effects Structure-Activity Relationship
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