Advances in Food and Nutrition Research by Steve L. Taylor (Eds.)

By Steve L. Taylor (Eds.)

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In principle, nutraceuticals exemplify food components with drug-like properties. One of the major challenges in pharmaceutical campaigns is the toxicity of the potential drugs. It should be noted that the toxicity of a given compound is dose-dependent. php? record_id¼11970#toc) identified the need of a major shift on the assessment of chemical’s toxicity, and computational methods are Chemoinformatics in Food Chemistry 41 recognized as key components in such transformation. Comparison of the chemical space of food component databases with those of other databases is expected to inform in both directions, that is, from the food chemistry and the pharmaceutical point of view.

2004). In vitro starch digestibility and in vivo glucose response of gluten-free foods and their gluten counterparts. Eur. J. Nutr. 43(4), 198–204. , and Ohri, D. (2003). Genetic variability and heritability of selected traits during different cuttings of vegetable Chenopodium. Ind. J. Genet. Pl. Breed 63, 359–360. , and Ohri, D. (2005). Seed protein electrophoresis of some cultivated and wild species of Chenopodium. Biol. Plan. 49(4), 505–511. , and Ohri, D. (2006). Chenopodium quinoa—An Indian perspective.

B. Pharmacophore model In pharmacophore modeling, the aim is to obtain a hypothesis that best describes the chemical features and conformation of molecules responsible for biological activity. The features generally evaluated are hydrogen bond acceptors, hydrogen bond donors, aliphatic hydrophobic groups, negatively ionizable groups, positively ionizable groups, and aromatic hydrophobic groups. , 2007) allow the generation of excluded volumes that are meant to mimic regions occupied by the receptor.

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