An interesting observation of the position of some electronegative atoms in the taxol molecule.
A study of the absolute energy-minimized configuration of the taxol molecule revealed that many oxygen atoms in this molecule and a nitrogen atom on the side chain are located on the same plane. A comparison of these electronegative atoms with information provided from existing literature indicated that most of these noted atoms conform with the reported structure--activity relationship (cytotoxicity, antineoplastic activity, tubulin assembly property, etc.). This observation may assist investigators in their future design of simpler, possibly clinically efficacious molecules related to taxol.
Cheng
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Department of Pharmacology, Toxicology & Therapeutics, The University of Kansas Medical Center, Kansas City, Kansas 66160-7419, USA. ccheng@kumc.edu
Gordon
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MA
D000970:Antineoplastic Agents / Q000737:chemistry; D015195:Drug Design; D004563:Electrochemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D017239:Paclitaxel / Q000737:chemistry* / Q000494:pharmacology; D013329:Structure-Activity Relationship; D014404:Tubulin / Q000737:chemistry
D000970:Antineoplastic Agents; D014404:Tubulin; D017239:Paclitaxel