Suko Hardjono (2016) Structure modification and Molecular Modeling of 1-(Benzoyloxy)urea derivatives as anticancer drug candidates. In: Proceeding 1st International Conference on Medicine and Health Sciences: Interprofessional Collaboration to Achieve Sustainable Development Goals (SDGs). Universitas Jember, Jember, pp. 20-22. ISBN 978-602-60569-3-1

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Abstract

Structure modification made in designing new drugs, by charging the structure of compound would alter the physicochemical properties including lipophilic, electronic and steric properties of the compound (Korolkovas, 1988; Siswandono, 2014). Changes in physicochemical properties would lead to changes in the activity of each compound (Hardjono et al, 2016). Molecular modeling through in silica test is a test that is done through computer simulation. Molecular Modeling is used to predict a new drug candidate compounds to be syn thesized. This test was performed in order to improve efficiency in the opt imization of the activity of the lead compound (Topliss J.G .• 1988. Istyastoro 2007; Jenzen 2007, Kumar C.S, 2013, Dyah N.W., 2016). Some derivatives of l -(Benzoyloxy)urea showed cytotoxic activity and predicted could be used as anti-cancer drugs (Hardjono, 2012; Hardjono 2016).

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