Evaluating the therapeutic potential of curcumin and synthetic derivatives: a computational approach to anti-obesity treatments
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Date
2024
Journal Title
Journal ISSN
Volume Title
Publisher
Multidisciplinary Digital Publishing Institute (MDPI)
Abstract
Natural compounds such as curcumin, a polyphenolic compound derived from the rhizome of turmeric, have gathered remarkable scientific interest due to their diverse metabolic benefits including anti-obesity potential. However, curcumin faces challenges stemming from its unfavorable pharmacokinetic profile. To address this issue, synthetic curcumin derivatives aimed at enhancing the biological efficacy of curcumin have previously been developed. In silico modelling techniques have gained significant recognition in screening synthetic compounds as drug candidates. Therefore, the primary objective of this study was to assess the pharmacokinetic and pharmacodynamic characteristics of three synthetic derivatives of curcumin. This evaluation was conducted in comparison to curcumin, with a specific emphasis on examining their impact on adipogenesis, inflammation, and lipid metabolism as potential therapeutic targets of obesity mechanisms. In this study, predictive toxicity screening confirmed the safety of curcumin, with the curcumin derivatives demonstrating a safe profile based on their LD50 values. The synthetic curcumin derivative 1A8 exhibited inactivity across all selected toxicity endpoints. Furthermore, these compounds were deemed viable candidate drugs as they adhered to Lipinski’s rules and exhibited favorable metabolic profiles.
Description
Keywords
Curcumin, Obesity, Pharmacodynamics, Pharmacokinetics, Synthetic curcumin derivatives
Citation
Moetlediwa, M.T., Jack, B.U., Mazibuko-Mbeje, S.E., Pheiffer, C., Titinchi, S.J., Salifu, E.Y. and Ramharack, P., 2024. Evaluating the Therapeutic Potential of Curcumin and Synthetic Derivatives: A Computational Approach to Anti-Obesity Treatments. International Journal of Molecular Sciences, 25(5), p.2603.