title: Synthesis, antiproliferative activity and molecular docking of Colchicine derivatives.
abstract: In order to create more potent anticancer agents, a series of five structurally different derivatives of Colchicine have been synthesised. These compounds were characterised spectroscopically and structurally and their antiproliferative activity against four human tumour cell lines (HL-60, HL-60/vinc, LoVo, LoVo/DX) was evaluated. Additionally the activity of the studied compounds was calculated using computational methods involving molecular docking of the Colchicine derivatives to β-tubulin. The experimental and computational results are in very good agreement indicating that the antimitotic activity of Colchicine derivatives can be readily predicted using computational modeling methods.
authors.affiliation: Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań, Poland. Electronic address: adhucz@amu.edu.pl.
authors.forename: Adam
authors.initials: A
authors.lastname: Huczyński
authors.affiliation: Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań, Poland.
authors.forename: Urszula
authors.initials: U
authors.lastname: Majcher
authors.affiliation: Ludwik Hierszfeld Institute of Immunology and Experimental Therapy, Polish Academy of Sciences, Rudolfa Weigla 12, 53-114 Wrocław, Poland.
authors.forename: Ewa
authors.initials: E
authors.lastname: Maj
authors.affiliation: Ludwik Hierszfeld Institute of Immunology and Experimental Therapy, Polish Academy of Sciences, Rudolfa Weigla 12, 53-114 Wrocław, Poland.
authors.forename: Joanna
authors.initials: J
authors.lastname: Wietrzyk
authors.affiliation: Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wrocław, Poland.
authors.forename: Jan
authors.initials: J
authors.lastname: Janczak
authors.affiliation: Department of Oncology, University of Alberta, Edmonton, Alberta T6G 1Z2, Canada.
authors.forename: Mahshad
authors.initials: M
authors.lastname: Moshari
authors.affiliation: Department of Oncology, University of Alberta, Edmonton, Alberta T6G 1Z2, Canada.
authors.forename: Jack A
authors.initials: JA
authors.lastname: Tuszynski
authors.affiliation: Institut für Medizinische Physik und Biophysik Charité - Universitätsmedizin Berlin, Campus Charité Mitte, Charitéplatz 1, 10117 Berlin, Germany.
authors.forename: Franz
authors.initials: F
authors.lastname: Bartl
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D001665:Binding Sites; D045744:Cell Line, Tumor; D003078:Colchicine / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D006801:Humans; D062105:Molecular Docking Simulation; D014404:Tubulin / Q000737:chemistry
chemical_list: D000970:Antineoplastic Agents; D014404:Tubulin; D003078:Colchicine
keywords: Antimitotic agent; Colchicine derivatives; Crystal structure; Cytotoxicity; Docking; Tubulin