QSAR STUDY OF XANTHONE DERIVATIVES AS ANTI PLASMODIAL AGENTS
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 de...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Department of Chemistry, Universitas Gadjah Mada
2010-12-01
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| Series: | Indonesian Journal of Chemistry |
| Online Access: | https://jurnal.ugm.ac.id/ijc/article/view/21443 |
| _version_ | 1818694997999878144 |
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| author | Amanatie Amanatie Jumina Jumina Mustofa Mustofa M. Hanafi Ria Armunanto |
| author_facet | Amanatie Amanatie Jumina Jumina Mustofa Mustofa M. Hanafi Ria Armunanto |
| author_sort | Amanatie Amanatie |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-17T13:38:28Z |
| format | Article |
| id | doaj.art-b47ea7bc257c40158cf9d37d307a3a85 |
| institution | Directory Open Access Journal |
| issn | 1411-9420 2460-1578 |
| language | English |
| last_indexed | 2024-12-17T13:38:28Z |
| publishDate | 2010-12-01 |
| publisher | Department of Chemistry, Universitas Gadjah Mada |
| record_format | Article |
| series | Indonesian Journal of Chemistry |
| spelling | doaj.art-b47ea7bc257c40158cf9d37d307a3a852022-12-21T21:46:22ZengDepartment of Chemistry, Universitas Gadjah MadaIndonesian Journal of Chemistry1411-94202460-15782010-12-0110335736210.22146/ijc.2144314541QSAR STUDY OF XANTHONE DERIVATIVES AS ANTI PLASMODIAL AGENTSAmanatie Amanatie0Jumina Jumina1Mustofa Mustofa2M. Hanafi3Ria Armunanto4Student of Doctoral Program, Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, YogyakartaDepartment of Chemistry, Faculty of Mathematics and Natural Sciences,Universitas Gadjah Mada, Jl. Sekip Utara, Pos Box: BLS 21, Yogyakarta 55281Faculty of Medicine, Universitas Gadjah Mada, YogyakartaCenter for Chemical Research, Indonesian Institute of Science (LIPI), Serpong TangerangDepartment of Chemistry, Faculty of Mathematics and Natural Sciences,Universitas Gadjah Mada, Jl. Sekip Utara, Pos Box: BLS 21, Yogyakarta 55281Xanthones 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.https://jurnal.ugm.ac.id/ijc/article/view/21443 |
| spellingShingle | Amanatie Amanatie Jumina Jumina Mustofa Mustofa M. Hanafi Ria Armunanto QSAR STUDY OF XANTHONE DERIVATIVES AS ANTI PLASMODIAL AGENTS Indonesian Journal of Chemistry |
| title | QSAR STUDY OF XANTHONE DERIVATIVES AS ANTI PLASMODIAL AGENTS |
| title_full | QSAR STUDY OF XANTHONE DERIVATIVES AS ANTI PLASMODIAL AGENTS |
| title_fullStr | QSAR STUDY OF XANTHONE DERIVATIVES AS ANTI PLASMODIAL AGENTS |
| title_full_unstemmed | QSAR STUDY OF XANTHONE DERIVATIVES AS ANTI PLASMODIAL AGENTS |
| title_short | QSAR STUDY OF XANTHONE DERIVATIVES AS ANTI PLASMODIAL AGENTS |
| title_sort | qsar study of xanthone derivatives as anti plasmodial agents |
| url | https://jurnal.ugm.ac.id/ijc/article/view/21443 |
| work_keys_str_mv | AT amanatieamanatie qsarstudyofxanthonederivativesasantiplasmodialagents AT juminajumina qsarstudyofxanthonederivativesasantiplasmodialagents AT mustofamustofa qsarstudyofxanthonederivativesasantiplasmodialagents AT mhanafi qsarstudyofxanthonederivativesasantiplasmodialagents AT riaarmunanto qsarstudyofxanthonederivativesasantiplasmodialagents |