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Mustofa Mustofa
Faculty of Medicine, Universitas Gadjah Mada, Yogyakarta
Chemical Engineering, Chemistry & Bioengineering Chemistry

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QSAR STUDY OF XANTHONE DERIVATIVES AS ANTI PLASMODIAL AGENTS Amanatie Amanatie; Jumina Jumina; Mustofa Mustofa; M. Hanafi; Ria Armunanto
Indonesian Journal of Chemistry Vol 10, No 3 (2010)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (177.856 KB) | DOI: 10.22146/ijc.21443

Abstract

Xanthones and their derivatives have been reported to exhibit inhibitory activities towards Plasmodium falciparum. To provide deep insight into the correlation between inhibitory activities and structures of xanthones, linear regression method was employed to establish QSAR models for 16 xanthone derivatives that have diverse structures. The accuracy and predictive power of the proposed QSAR model were verified by semi empirical PM3 method, optimation, and validation. The result showed that the best model is model 3 i.e. Log 1/IC50 = Σ (-1.446)qO(7)+ (-8.775)q.C(12) + (-10.592)qC(13) + 1,979; Y = PRESS = 1.124192.
Co-Authors Amanatie Amanatie Jumina Jumina M. Hanafi Ria Armunanto