Nur Kuswanti, Nur Qomariyah, Erlix Rakhmad Purnama, Firas Khaleyla
Background: Bruguirea gymnorrhyza is used to treat some diseases traditionally. Some scientific studies are important for its explanation and drug development. The aims of this study are to identify metabolites in B. gymnorrhyza leaf extract and predict their oral bioavailability and GI absorption associated with treating diseases. Methods: B. gymnorrhyza leaves were dried. Its flour was macerated in ethanol, then evaporated to produce an extract. The extract was analysed using Liquid Chromatography High Resolution-Mass Spectrophotometry (LCHR-MS) technique to identify its metabolites. The SwissADME tool was applied to predict their oral bioavailability and gastrointestinal (GI) absorption. Results: The LCHR-MS analysis resulted that B. gymnorrhyza leaf extract contained choline (65.18%) as the most dominant metabolite, followed by diisobutylphthalate (7.23%), isoleucine (5.62%), 2,2,6,6-tetramethyl-1-piperidinol (TEMPO) (4.18%), valine (3.52%), l-phenylalanine (2.07%), d(+)-proline (1.70%), 2-[(3S)-1-(cyclohexylmethyl)-3-pyrrolidinyl]-1H-benzimidazole-5- carbonitrile (1.44%), adenine (1.39%), 2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile (1.26%), l-norleucine (1.24%), dibenzylamine (1.26%) and wogonin (1.05%). Most of them were predicted not to be oral bioavailable, except diisobutylphthalate, TEMPO, 2-[(3S)-1-(Cyclohexylmethyl)-3-pyrrolidinyl]-1H-benzimidazole-5-carbonitrile, and wogonin. However, most of the metabolites were predicted to be absorbed by GI wall highly, except choline. Conclusion: The B. gymnorrhyza leaf extract contains 13 main metabolites dominated by choline. They are mostly predicted not to be oral bioavailable and highly absorbed by GI tract. These results can be referred to direct and determine further steps of scientific studies of B. gymnorrhyza leaf extract and its metabolites as disease treating agents. © 2024 by SPC (Sami Publishing Company)
Biology Department, Universitas Negeri Surabaya, Surabaya, Indonesia
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