Quantum chemical quantitative structure activity studies of anticancer activity of Aldohexose chloroethylnitrosourea Analogs
Quantitative structure activity relationship involving 18 aldohexose chloroethylnitrosourea compounds having anticancer activity against Ip-Implanted Murine L1210 Lymphoid Leukemia, is investigated using semi-empirical quantum chemical AM1 methods. Quantum chemical methods are used to calculate...
| Main Authors: | , , |
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| Format: | Proceeding Paper |
| Language: | English |
| Published: |
2010
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| Subjects: | |
| Online Access: | http://irep.iium.edu.my/4099/ http://irep.iium.edu.my/4099/4/ICAST2010_QSAR_%282%29.pdf |
| _version_ | 1848776272781508608 |
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| author | Noorbatcha, Ibrahim Ali Syed Osman Idid, Syed Zahir Idid Eissa, Maimonah |
| author_facet | Noorbatcha, Ibrahim Ali Syed Osman Idid, Syed Zahir Idid Eissa, Maimonah |
| author_sort | Noorbatcha, Ibrahim Ali |
| building | IIUM Repository |
| collection | Online Access |
| description | Quantitative structure activity relationship involving 18 aldohexose chloroethylnitrosourea compounds having anticancer activity against Ip-Implanted Murine L1210 Lymphoid Leukemia, is investigated using semi-empirical quantum chemical AM1 methods.
Quantum chemical methods are used to calculate several electronic and molecular properties of these compounds and these properties are used to obtain the best QSAR using statistical procedures. A best QSAR with correlation coefficient of R2 = 0.7270 is established with four theoretical molecular descriptors. The QSAR obtained in our study can be used to predict the anticancer activity of new aldohexose chloroethylnitrosourea analogs, without resorting to any experimental studies.
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| first_indexed | 2025-11-14T14:27:28Z |
| format | Proceeding Paper |
| id | iium-4099 |
| institution | International Islamic University Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T14:27:28Z |
| publishDate | 2010 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | iium-40992011-11-21T19:48:30Z http://irep.iium.edu.my/4099/ Quantum chemical quantitative structure activity studies of anticancer activity of Aldohexose chloroethylnitrosourea Analogs Noorbatcha, Ibrahim Ali Syed Osman Idid, Syed Zahir Idid Eissa, Maimonah TP248.13 Biotechnology Quantitative structure activity relationship involving 18 aldohexose chloroethylnitrosourea compounds having anticancer activity against Ip-Implanted Murine L1210 Lymphoid Leukemia, is investigated using semi-empirical quantum chemical AM1 methods. Quantum chemical methods are used to calculate several electronic and molecular properties of these compounds and these properties are used to obtain the best QSAR using statistical procedures. A best QSAR with correlation coefficient of R2 = 0.7270 is established with four theoretical molecular descriptors. The QSAR obtained in our study can be used to predict the anticancer activity of new aldohexose chloroethylnitrosourea analogs, without resorting to any experimental studies. 2010-11-26 Proceeding Paper NonPeerReviewed application/pdf en http://irep.iium.edu.my/4099/4/ICAST2010_QSAR_%282%29.pdf Noorbatcha, Ibrahim Ali and Syed Osman Idid, Syed Zahir Idid and Eissa, Maimonah (2010) Quantum chemical quantitative structure activity studies of anticancer activity of Aldohexose chloroethylnitrosourea Analogs. In: 3rd International Conference on Advancement in Science and Technology (iCAST 2010), 26 - 29 November 2010, Vistana Hotel, Kuantan. (Unpublished) http://www.iium.edu.my/icast/2010/index.php?option=com_content&view=article&id=24&Itemid=19 |
| spellingShingle | TP248.13 Biotechnology Noorbatcha, Ibrahim Ali Syed Osman Idid, Syed Zahir Idid Eissa, Maimonah Quantum chemical quantitative structure activity studies of anticancer activity of Aldohexose chloroethylnitrosourea Analogs |
| title | Quantum chemical quantitative structure activity studies of anticancer activity of Aldohexose chloroethylnitrosourea Analogs |
| title_full | Quantum chemical quantitative structure activity studies of anticancer activity of Aldohexose chloroethylnitrosourea Analogs |
| title_fullStr | Quantum chemical quantitative structure activity studies of anticancer activity of Aldohexose chloroethylnitrosourea Analogs |
| title_full_unstemmed | Quantum chemical quantitative structure activity studies of anticancer activity of Aldohexose chloroethylnitrosourea Analogs |
| title_short | Quantum chemical quantitative structure activity studies of anticancer activity of Aldohexose chloroethylnitrosourea Analogs |
| title_sort | quantum chemical quantitative structure activity studies of anticancer activity of aldohexose chloroethylnitrosourea analogs |
| topic | TP248.13 Biotechnology |
| url | http://irep.iium.edu.my/4099/ http://irep.iium.edu.my/4099/ http://irep.iium.edu.my/4099/4/ICAST2010_QSAR_%282%29.pdf |