Essential oil composition of Curcuma species and drugs from Asia analyzed by headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry.

Essential oils (EOs) comprised of various bioactive compounds have been widely detected in the Curcuma species. Due to the widespread distribution and misidentification of Curcuma species and differences in processing methods, inconsistent reports on major compounds in rhizomes of the same species from different geographical regions are not uncommon. This inconsistency leads to confusion and inaccuracy in compound detection of each species and also hinders comparative study based on EO compositions. The present study aimed to characterize EO compositions of 12 Curcuma species, as well as to detect the compositional variation among different species, and between the plant specimens and their related genetically validated crude drug samples using headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry. The plant specimens of the same species showed similar EO patterns, regardless of introducing from different geographical sources. Based on the similarity of EO compositions, all the specimens and samples were separated into eight main groups: C. longa; C. phaeocaulis, C. aeruginosa and C. zedoaria; C. zanthorrhiza; C. aromatica and C. wenyujin; C. kwangsiensis; C. amada and C. mangga; C. petiolata; C. comosa. From EOs of all the specimens and samples, 54 major compounds were identified, and the eight groups were chemically characterized. Most of the major compounds detected in plant specimens were also observed in crude drug samples, although a few compounds converted or degraded due to processing procedures or over time. Orthogonal partial least squares-discriminant analysis allowed the marker compounds to discriminate each group or each species to be identified.

In vitro and in silico analysis of phytochemical compounds of 96% ethanol extract of semanggi (Marsilea crenata Presl.) leaves as a bone formation agent.

OBJECTIVES: Osteoporosis is the result of an imbalance in the rate of bone resorption and bone formation due to a decrease in estrogen. Phytoestrogens are plant compounds with structures and functions similar to estrogen. Phytoestrogens that bind to estrogen receptors in bone cells are able to modulate bone formation. Semanggi (Marsilea crenata Presl.) is a plant that contains phytoestrogens. The purpose of this study was to observe the expression of osteocalcin and predict the content of extract phytoestrogens through a computer simulation study to study the bone formation activity of the 96% ethanol extract of M. crenata leaves on hFOB 1.19 cells. METHODS: hFOB 1.19 cells were cultured in 24-well microplates, and 96% ethanol extract of M. crenata Presl. leaves was added at 62.5, 125 and 250 ppm. The expression of osteocalcin was analyzed using CLSM immunocytochemistry. Using PyRx 0.8 software and 1ERE protein for molecular docking, the compound was analyzed by computer. RESULTS: The 96% ethanol extract of M. crenata Presl. leaves can increase the expression of osteocalcin, the optimal dose is 125 ppm, and p<0.05 is 881.658 AU. In silico study was obtained six compounds that showed similar activity 17ß-estradiol as ER-ß agonists. CONCLUSIONS: The 96% ethanol extract of M. crenata Presl. leaves contain six compounds that are thought to be phytoestrogens and ER-ß agonists, and play a role in increasing bone formation activity and have the potential to be used as an oral drug.

Prediction of compounds with antiosteoporosis activity in Chrysophyllum cainito L. leaves through in silico approach.

OBJECTIVES: Estrogen deficiency causes various health problems in postmenopausal women, including osteoporosis. Phytoestrogen emerged as a potential alternative of estrogen with minimum side effects. The aims of this study were to analyze the metabolite profiling results of various extract of Chyrsophyllum cainito L. leaves, which contain phytoestrogen, through in silico study against 3OLS protein, an X-ray protein of ERß, so it can predict the types of the phytoestrogen contents which have antiosteoporosis property. METHODS: In silico analysis was carried out for the compounds from the metabolite profiling data of C. cainito leaves from our previous study. The structure compounds from metabolite profiling results of various extract of C. cainito leaves were prepared with Avogadro 1.0.1 software, molecular docking was done using PyRx 0.8 software, and Biovia Discovery Studio Visualizer 2016 software was used to visualize the structure of compounds against 3OLS protein. The physicochemical characteristics of the compounds were analyzed using the SwissADME web tool. RESULTS: From in silico studies, it was known that there were total 11 compounds in C. cainito leaves that predicted as phytoestrogens which have ERß agonist properties against 3OLS protein. The ERß agonist was a compound that has parameters similar to 17ß-estradiol in its interaction with 3OLS protein, which has a pharmacophore distance of 10.862 Å, and binding to amino acids His 475 and Glu 305 or Arg 346 at receptor-ligand docking simulation. CONCLUSIONS: C. cainito leaves contain 11 compounds that are predicted to be phytoestrogens with ERß agonist properties, which is responsible for antiosteoporosis activity.

The enhancement of Arg1 and activated ERß expression in microglia HMC3 by induction of 96% ethanol extract of Marsilea crenata Presl. leaves.

Background Phytoestrogens have a high potential to overcome the neuroinflammation caused by estrogen deficiency. Marsilea crenata Presl. is a plant known to contain phytoestrogens. This research aimed to report the activity of a 96% ethanol extract of M. crenata leaves in inducing activation of microglia HMC3 cell to M2 polarity, which has anti-inflammatory characteristics. Methods The study was done by culturing microglia HMC3 cell in 24-well microplate and inducing it with IFN-γ for 24 h to activate the cell to M1 polarity, which has proinflammatory characteristics. The 96% ethanol extract was added with various doses of 62.5, 125, and 250 ppm. Genistein, 50 µM, was used as a positive control. The analysis of the immunofluorescence of Arginase-1 (Arg1) and ERß as markers was done using a convocal laser scanning microscope. Results The result of Arg1 shows a significant difference in Arg1 expression in the microglia HMC3 cell line between the negative control and all treatment groups at p < 0.05, with the best result at 250 ppm, whereas for ERß, the results show, at doses of 125 and 250 ppm, that the 96% ethanol extract of M. crenata leaves decrease the activated ERß expression at p < 0.05, with the best result at 250 ppm. The Arg1 and activated ERß expression have a weak negative relationship with the Pearson correlation test. Conclusions The 96% ethanol extract of M. crenata leaves has an antineuroinflammation activity through the induction of Arg1 and activated ERß expression in microglia HMC3 cell, with the best dose at 250 ppm.