Antioxidant and Antiproliferative Potential of Bioactive Molecules Ursolic Acid and Thujone Isolated from Memecylon edule and Elaeagnus indica and Their Inhibitory Effect on Topoisomerase II by Molecular Docking Approach

BioMed Research International
Ramalingam SrinivasanDevarajan Natarajan

Abstract

The present study aimed to evaluate the antioxidant and antiproliferative potential of ursolic acid and thujone isolated from leaves of Elaeagnus indica and Memecylon edule and their inhibitory effect on topoisomerase II using molecular docking study. The isolated ursolic acid and thujone were examined for different types of free radicals scavenging activity, the antiproliferative potential on U-937 and HT-60 cell lines by adopting standard methods. Further, these compounds were docked with the active site of the ATPase region of topoisomerase II. The findings of the research revealed that ursolic acid harbor strong antioxidant and antiproliferative capacity with low IC50 values than the thujone in all tested methods. Moreover, ursolic acid shows significant inhibition effect on topoisomerase II with a considerable docking score (-8.0312) and GLIDE energy (-51.86 kca/mol). The present outcome concludes that ursolic acid possesses significant antioxidant and antiproliferative potential, which can be used in the development of novel antioxidant and antiproliferative agents in the future.

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Citations

May 1, 2021·International Journal of Molecular Sciences·Evelina GudoityteJulius Liobikas
Jul 3, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Aurita ButkeviciuteValdimaras Janulis

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Software Mentioned

SPSS
Maestro
Graphical User Interface ( GUI
Hat Enterprise Linux
Schrödinger
Red
Schrödinger Suite
LigPrep
OriginPro
GLIDE ( Grid - Based Ligand Docking with Energetics )

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