Bioactive Heterocycles VII: Flavonoids and Anthocyanins in by Noboru Motohashi

By Noboru Motohashi

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Additional info for Bioactive Heterocycles VII: Flavonoids and Anthocyanins in Plants, and Latest Bioactive Heterocycles II

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130 References . . . . . . . . . . . . . . . . . . . . 132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 project reader. 9 MOPAC (PM3). The present study demonstrates the best relationship between the cytotoxic activity and molecular shape or molecular weight of these compounds. Their biolog- 94 M. Ishihara et al. ical activities can be estimated by hardness and softness, and by using η–χ activity diagrams.

The MOPAC (molecular orbital package), which has been explored by Dr. P. Stewart, is the method by which the electron characteristics of a molecule is calculated. S. Dewar, the MIND-d Hamiltonian developed by W. P. Stewart. Recent dramatic progress with computers has made it possible to perform the quantum mechanics calculation by the MO method (ab initio calculation method) and density functional theory (DFT) [10, 11]. Although these two methods are frequently used now, they are time-consuming.

9 project reader. 9 MOPAC (PM3). The present study demonstrates the best relationship between the cytotoxic activity and molecular shape or molecular weight of these compounds. Their biolog- 94 M. Ishihara et al. ical activities can be estimated by hardness and softness, and by using η–χ activity diagrams. 1 Quantitative Structure–Activity Relationship It is empirically known that compounds with similar structures display similar biological activity [1–3].

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