Abstract
Cheminformatics approaches are currently not employed in any of the spices to study the medicinal properties traditionally attributed to them. The aim of this study is to find the most efficacious molecule which do not have toxic effects but at the same time have desired pharmacokinetic profile. In the present study of the class ‘diphenylheptanoids’ from turmeric, cheminformatics methods were employed to predict properties such as physicochemical properties, Absorption, Distribution, Metabolism, Toxicity (mutagenicity, rodent carcinogenicity and human hepatotoxicity). These studies confirmed that curcumin and its derivatives cause dose-dependent hepatotoxicity. The results of these studies indicate that, in contrast to curcumin, few other compounds in turmeric such as compounds (8) and (9) [refer text], exhibit better activities and are drugable and do not have any side-effects.
Keywords: Turmeric, diphenylheptanoids, drugability, ADMET, pharmacokinetics, hepatotoxicity, mutagenicity, rodent carcinogenicity
Medicinal Chemistry
Title: Pharmacokinetics Prediction and Drugability Assessment of Diphenylheptanoids from Turmeric (Curcuma longa L)
Volume: 5 Issue: 2
Author(s): S. Balaji and B. Chempakam
Affiliation:
Keywords: Turmeric, diphenylheptanoids, drugability, ADMET, pharmacokinetics, hepatotoxicity, mutagenicity, rodent carcinogenicity
Abstract: Cheminformatics approaches are currently not employed in any of the spices to study the medicinal properties traditionally attributed to them. The aim of this study is to find the most efficacious molecule which do not have toxic effects but at the same time have desired pharmacokinetic profile. In the present study of the class ‘diphenylheptanoids’ from turmeric, cheminformatics methods were employed to predict properties such as physicochemical properties, Absorption, Distribution, Metabolism, Toxicity (mutagenicity, rodent carcinogenicity and human hepatotoxicity). These studies confirmed that curcumin and its derivatives cause dose-dependent hepatotoxicity. The results of these studies indicate that, in contrast to curcumin, few other compounds in turmeric such as compounds (8) and (9) [refer text], exhibit better activities and are drugable and do not have any side-effects.
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Cite this article as:
Balaji S. and Chempakam B., Pharmacokinetics Prediction and Drugability Assessment of Diphenylheptanoids from Turmeric (Curcuma longa L), Medicinal Chemistry 2009; 5 (2) . https://dx.doi.org/10.2174/157340609787582873
DOI https://dx.doi.org/10.2174/157340609787582873 |
Print ISSN 1573-4064 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6638 |
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