Acta Chimica Sinica ›› 2001, Vol. 59 ›› Issue (6): 832-835. Previous Articles     Next Articles

Original Articles

1-环丙基-6-氟-7-取代喹诺酮抗HIV活性的定量构效关系

李江波;曹维良;林瑞森;俞庆森;张敬畅   

  1. 北京化工大学理学院;浙江大学化学系.杭州(310027)
  • 发布日期:2001-06-15

QSAR of 1-cyclopropyl-6-fluoro-7-substituted-1 ,4-dihydro-4- oxoquinoline -3-carboxylic acids for anti-HIV activity

Li Jiangbo;Cao Weiliang;Lin Ruisen;Yu Qingsen;Zhang Jingchang   

  1. Zhejiang Univ, Dept Chem.Hangzhou(310027)
  • Published:2001-06-15

The quantitative structure -activity relationship (QSAR) ofa series of 1-cyclopropyl-6-fluoro-7-substituted-1,4-dihydro-4- oxoquinoline-3- carboxylic acids was investigated in using quantum chemical AM1 mothod. The results show that most of these compounds are excellent electron donors, and the main site of the electron donor of the compounds is located at the terminal nitrogen N(3) atom of 7-C group. We further demonstrated that these electron-donating compounds are effective in inhibiting HIV virus.This may hold promise to screen out potetial anti-HIV compounds from quinolines which traditionally show low antibacterial activites against G^- and G^+.

Key words: PIPERAZINE P, QUINOLONE (=CARBOSTYRIL), QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP, AIDS, ORGANO FLUORINE COMPOUNDS, QUANTUM CHEMISTRY

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