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All Journal Jurnal Teknologi Industri Pertanian MPI (Media Pharmaceutica Indonesiana) Journal of Tropical Biodiversity and Biotechnology Bioinformatics and Biomedical Research Journal Jurnal Bioteknologi & Biosains Indonesia (JBBI)
PERMATASARI, Galuh Wening
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Education Engineering Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Materials Science & Nanotechnology Medicine & Pharmacology

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Journal : MPI (Media Pharmaceutica Indonesiana)

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Active compounds of fingerroot (Boesenbergia pandurata) for obesity treatment: in silico approaches Yuniarto, Ari; Aji, Abdul; Ramadhani, Anggia Noor; Permatasari, Galuh Wening
MPI (Media Pharmaceutica Indonesiana) Vol. 4 No. 1 (2022): JUNE
Publisher : Fakultas Farmasi, Universitas Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24123/mpi.v4i1.4807

Abstract

Obesity has become increasingly prevalent worldwide each year. Several studies have proven that herbs are effective in preventing obesity. The research delved into the active compounds of Boesenbergia pandurata to reveal their mechanisms of action by utilizing bioinformatics approaches. The research methods included active compounds selection, QSAR analysis, networking analysis, molecular docking, and ADME prediction. The QSAR analysis predicted that the active compounds were correlated with some theoretical activities with more than 0.5 probability, namely vasoprotective, anti-hypercholesterolemic, anti-inflammatory, free radical scavenging, and as a lipid metabolism regulator and TNF expression inhibitor. Furthermore, the results of the networking analysis showed that five compounds (pinocembrin, cardamonin, flavokawain B, flavokawain C, and tectochrysin) had direct interactions with RPS6KB1. Pinocembrin exhibited the highest binding affinityof -7.26 kcal/mol, although not as strong as that of the control ligand (FS9). The ADME prediction indicated that the five compounds were non-toxic and had excellent absorption. It can be concluded that the active compounds of B. pandurata have the ability to improve metabolic syndrome, especially obesity, in silico through several mechanisms, such as suppression of pro-inflammatory cytokine, regulation of lipid metabolism, and those associated with antioxidants.
Co-Authors Aji, Abdul Aksa, Annisa Aulia Djoko Santoso Ernayunita, Ernayunita Hayati Minarsih Imron Riyadi Kresnawaty, Irma Mardhika, Larasati Dena PUTRANTO, Riza Arief Ramadhani, Anggia Noor Setiowati, Retno Diah Sri Wening Vidayanti, Viky Widodo Widodo Yuli Setiawati, Yuli Yuniarto, Ari