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. 2022 Dec 6;27(23):8605.
doi: 10.3390/molecules27238605.

In Silico and In Vitro Analysis of Tacca Tubers (Tacca leontopetaloides) from Banyak Island, Aceh Singkil Regency, Indonesia, as Antihypercholesterolemia Agents

Rachmawati Rachmawati  1   2 , Rinaldi Idroes  3   4 , Eko Suhartono  5 , Nur Balqis Maulydia  3 , Darusman Darusman  6
Affiliations

In Silico and In Vitro Analysis of Tacca Tubers (Tacca leontopetaloides) from Banyak Island, Aceh Singkil Regency, Indonesia, as Antihypercholesterolemia Agents

Rachmawati Rachmawati et al. Molecules. .

Abstract

Tacca leontopetaloides (T. leontopetaloides) contain a number of active compounds such as flavonoids, tannins, phenolics, steroids, and alkaloids. The active compounds from plants have been shown to reduce the risk of cardiovascular disease by lowering cholesterol levels by inhibiting the enzyme 3-hydroxy-3-methylglutaryl-coenzym A (HMG-CoA) reductase activity. This study aims to investigate the potential active compounds in the ethanolic extract of Tacca tubers (T. leontopetaloides) from the Banyak Islands, Aceh Singkil Regency, Aceh Province both in vitro and in silico. Tacca tubers contain secondary metabolites including flavonoids, phenolics, tannins, steroids and saponins, according to phytochemical screening. In vitro investigation of ethanolic extract of Tacca tuber revealed inhibitory activity of HMG Co-A reductase with an IC50 value of 4.92 ppm. Based on the in silico study, active compound from the extract, namely Stigmasterol with the highest binding affinities with HMG Co-A reductase (-7.2 kcal/mol). As a comparison, the inhibition of HMG Co-A reductase activity by simvastatin with an IC50 4.62 ppm and binding affinity -8.0 Kcal/mol. Our findings suggest that the ethanolic extract of Tacca tuber (T. leontopetaloides) from Banyak Islands, Aceh Province has the potential to inhibit the activity of HMG Co-A reductase.

Keywords: HMG Co-A reductase; Tacca leontopetaloides; in silico; in vitro.

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Conflict of interest statement

The authors declare no conflict of interest.

Figures

Figure 1
Figure 1
Tacca Plant (T. leontopetaloides).
Figure 2
Figure 2
Chromatogram of Tacca tuber ethanolic extract.
Figure 3
Figure 3
Visualization of the HMG-CoA reductase receptor docking (PDB ID: 2R4F) with stigmasterol.
Figure 4
Figure 4
Visualization of the HMG-CoA reductase receptor docking (PDB ID: 2R4F) with simvastatin.
Figure 5
Figure 5
Inhibitory activity of HMG-CoA reductase of Tacca tuber (a), ethanolic extract of Tacca tuber (b) and simvastatin (c).
Figure 6
Figure 6
Sampling location map.
Figure 7
Figure 7
Tuber of Tacca leontopetaloides.
See this image and copyright information in PMC

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