Quantum chemical and molecular docking studies of luteolin and naringerin found in tigernut: A study of their anti-cancer properties

Alahira, Deborah; Shinggu, John Paul; Bako, Bulus

doi:10.48309/jmnc.2024.1.6

Document Type : Original Article

Authors

¹ Department of Food Science and Technology, Federal University Wukari, Taraba State, Nigeria

² Computational Astrochemistry and Bio-Simulation Research Group, Federal University Wukari, Taraba State, Nigeria

³ Department of Chemical Sciences, Federal University Wukari, Taraba State, Nigeria

https://doi.org/10.48309/jmnc.2024.1.6

Abstract

In recent years, the exploration of natural compounds from plants has gained traction as researchers seek alternatives to conventional cancer therapies. Luteolin and Naringenin, identified in Tigernuts, have been of particular interest due to their established anti-cancer potential within the broader class of flavonoids. Against the backdrop of rising global cancer prevalence, this study explores the potential of plant-derived compounds as alternatives or complementary therapies. This study investigates the anti-cancer properties of Luteolin and Naringenin, prominent flavonoids found in Tigernuts (Cyperus esculentus L.). A computational modeling method known as molecular docking was employed to predict the preferred orientations of Luteolin and Naringenin when forming stable complexes with cancer-related molecular targets. In addition, density functional theory (DFT) was utilized to calculate the electronic structure of these compounds, providing insights into their stability and reactivity. As conventional chemotherapeutic approaches face limitations, this contributes to the ongoing quest for efficient and side effect-minimized cancer treatments. The results of this study showed that naringerin and luteolin found in tigernut has great potential to be used in the fight against cancer, showcasing the potential of natural compounds from Tigernuts in contemporary cancer research and drug development.

Graphical Abstract

Keywords

Main Subjects

Pharmaceutical sciences & Medicinal

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Journal of Medicinal and Nanomaterials Chemistry

Quantum chemical and molecular docking studies of luteolin and naringerin found in tigernut: A study of their anti-cancer properties

References

References

Volume 6, Issue 1
January 2024
Pages 64-80

Quantum chemical and molecular docking studies of luteolin and naringerin found in tigernut: A study of their anti-cancer properties

References

References

Volume 6, Issue 1January 2024Pages 64-80

Volume 6, Issue 1
January 2024
Pages 64-80