title: Podophyllotoxin analogues: synthesis and computer modelling investigation of structure-activity relationships.
abstract: The conformations of four 2-substituted-4-deoxy-analogues of podophyllotoxin have been studied using data obtained from X-ray structure determinations and molecular modelling studies. In these, root mean square differences between these structures and those of the cytotoxic agents 6'-bromopodophyllotoxin and colchicine were determined. Attempts have been made to correlate structure with the available biological activity data.
authors.affiliation: Department of Chemistry, University of Reading, Whiteknights, UK.
authors.forename: A R
authors.initials: AR
authors.lastname: Beard
authors.forename: M G
authors.initials: MG
authors.lastname: Drew
authors.forename: P
authors.initials: P
authors.lastname: Hilgard
authors.forename: B D
authors.initials: BD
authors.lastname: Hudson
authors.forename: J
authors.initials: J
authors.lastname: Mann
authors.forename: S
authors.initials: S
authors.lastname: Neidle
authors.forename: L F
authors.initials: LF
authors.lastname: Wong
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000494:pharmacology; D003198:Computer Simulation; D008958:Models, Molecular; D008968:Molecular Conformation; D011034:Podophyllotoxin / Q000031:analogs & derivatives* / Q000494:pharmacology; D013329:Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D011034:Podophyllotoxin