Computer-Aided Design of Anticancer 1,4-Naphthoquinone Derivatives
Lubna H. M. Ali *
Department of Chemistry, College of Science, Sudan University of Science and Technology, P.O.Box 407 Khartoum, Sudan
Ahmed E. M. Saeed
Department of Chemistry, College of Science, Sudan University of Science and Technology, P.O.Box 407 Khartoum, Sudan
*Author to whom correspondence should be addressed.
Abstract
Aims: Evaluation the impact of p-naphthoquinones upon biological activities and extent based upon QSAR technique.
Study Design: QSAR Approach.
Methodology: About twelve - eleven naphthoquinones which have cytotoxic effect against eight cancer cell lines: L1210, P388, NCI-H358M, OVCAR-8, PC-3M DU145, T24 and MCF7 and partition coefficient descriptor was used to find good QSAR model.
Results: The biological activity and partition coefficient of naphthoquinones can be modeled with linear regression with negative coefficient and good satisfied statistical data for all these cancer cell lines
Conclusion: The inhibition of eight cancer cell lines is influenced mainly by partition coefficient.
Keywords: Naphthoquinones, QSAR, partition coefficient, cytotoxic activity