Quantum chemical quantitative structure activity studies of anticancer activity of Aldohexose chloroethylnitrosourea Analogs

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 (Unpublished)

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Abstract

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.

Item Type:	Conference or Workshop Item (Lecture)
Additional Information:	3704/4099
Subjects:	T Technology > TP Chemical technology > TP248.13 Biotechnology
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	Kulliyyah of Engineering > Department of Biotechnology Engineering Kulliyyah of Science > Department of Biomedical Science
Depositing User:	Prof. Dr. Ibrahim Ali Noorbatcha
Date Deposited:	24 Oct 2011 10:17
Last Modified:	22 Nov 2011 03:48
URI:	http://irep.iium.edu.my/id/eprint/4099

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