Podophyllotoxin analogues: synthesis and computer modelling investigation of structure-activity relationships.
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.
Beard
A R
AR
Department of Chemistry, University of Reading, Whiteknights, UK.
Drew
M G
MG
Hilgard
P
P
Hudson
B D
BD
Mann
J
J
Neidle
S
S
Wong
L F
LF
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
D000970:Antineoplastic Agents; D011034:Podophyllotoxin