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Acta Chimica Sinica ›› 2001, Vol. 59 ›› Issue (6): 832-835. Previous Articles Next Articles
Original Articles
李江波;曹维良;林瑞森;俞庆森;张敬畅
发布日期:
Li Jiangbo;Cao Weiliang;Lin Ruisen;Yu Qingsen;Zhang Jingchang
Published:
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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
CLC Number:
O641
Li Jiangbo;Cao Weiliang;Lin Ruisen;Yu Qingsen;Zhang Jingchang. QSAR of 1-cyclopropyl-6-fluoro-7-substituted-1 ,4-dihydro-4- oxoquinoline -3-carboxylic acids for anti-HIV activity[J]. Acta Chimica Sinica, 2001, 59(6): 832-835.
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