Study on Conformations-Biological Activities Relationships for Podophyllotoxin Analogues Based on Crystal Structure of Deoxypodophyllotoxin (Anthricin)

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概要

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• The conformation of deoxypodophyllotoxin (anthricin) was determined by X-ray crystal structure analysis. Based on this data, possible conformations of seven other podophyllotoxin analogues were optimized using molecular mechanics calculation, and their atomic charges and molecular dipole moments were then calculated using CNDO/2 method. The relationships between these parameters and their biological activities were examined by simple regression analyses. It was suggested that the deoxyribonucleic acid (DNA) strand breakage activity is significantyl dependent on the distribution of the atomic charges in the podophyllotoxin structure, and the antimicrotubule activity on the steric parameters.

• 社団法人日本薬学会の論文
• 1988-09-25

著者

• 小澤 貢

  大阪薬大

• 稲森 善彦

  Osaka University of Pharmaceutical Sciences

• 小澤 貢

  Osaka University of Pharmaceutical Sciences

• 大石 宏文

  Osaka University of Pharmaceutical Sciences

• 石田 寿昌

  Osaka University of Pharmaceutical Sciences

• 山本 大助

  Osaka University Of Pharmaceutical Science

• 井上 正敏

  Osaka University of Pharmaceutical Sciences

• 井上 正敏

  大阪薬大

• 井上 正敏

  Department Of Physical Chemistry Osaka University Of Pharmaceutical Sciences

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