Search Results (16)

Iron is a heavy metal that often contaminates water. High iron concentrations are toxic to human health, so monitoring its presence in water is necessary. Iron in water can be detected using an optical sensor (optode). This research aims to fabricate an optode based on a cellulose triacetate membrane with a selective reagent against Fe(III). The optode was fabricated by mixing cellulose triacetate polymer, a plasticiser (a mixture of oleic acid and acetophenone), aliquot-336, and thiocyanate as a selective reagent. Membrane performance was tested based on working range, linearity, limit of detection and quantitation, precision, and accuracy. The performance of the membrane showed a linear response in the concentration range of 0.1–4 mg/L with a coefficient of determination (R²) of 0.9937, limit of detection of 0.0250 mg/L, limit of quantitation of 0.0757 mg/L, repeatability precision with a relative standard deviation of 3.31%, and an accuracy of 100.49%. Optode selectivity was good for interfering ions Cr(VI) and Pb(II). The colour complex of the optode was stable until the 10th day. The application of iron detection in water samples shows an average concentration of 0.2541 mg/L with good precision and accuracy. Full article

The authors have recently investigated the chemical components and bioactivity of fungus comb from Macrotermes gilvus Hagen mounds. The ethyl acetate, methanol, and water extracts of the fungus comb contained active compounds which are preventing the growth of Aspergillus foeti-dus, one of the most economically important wood-staining fungi in Indonesia. In this present study, the bioactivity of the fungus comb extracts was examined against the white-rot fungus Schizophyllum commune Fr. For the purpose of generating a realistic in-service type of environment, the extracts were evaluated according to modified EN-113 after impregnated into wood samples by the vacuum-pressure method, following in-vitro antimicrobial susceptibility test. The results showed that ethyl acetate extract at concentrations ranging from 2 to 6% and methanol extract at a concentration of 6% presented high bioactivity against S. commune. This result was established through optical microscopy images, which demonstrated the absence of fungal mycelia in the vessels of wood samples treated with EtOAc extract at concentrations of 2%, 4%, and 6%, as well as MeOH extract with a concentration of 6%. The toxic values of the ethyl acetate and methanol extracts were determined to be 6.17% and 7.72%, respectively. Based on UPLC-HRMS analysis, azelaic acid, and erucamide were discovered as the dominant components in ethyl acetate extracts, which are anticipated to be the most active compounds. It appears that ethyl acetate extract, as well as methanol extract, can be considered as novel preservative sources for controlling wood-decaying fungi. Full article

Exposure to UV/infrared (IR) radiation is the main extrinsic factor that changes skin morphology and affects the increase in reactive oxygen species (ROS) in skin aging. Ten varieties of andaliman (Zanthoxylum acanthopodium DC.) fruit are presumed to have skin anti-aging compounds via an enzyme-inhibition mechanism. This study aims to compare ten essential oils (EOs) of andaliman fruit varieties, group them according to their varieties, and obtain the chemical components that can be used as potential skin anti-aging agents using molecular docking. EOs were isolated by hydrodistillation, and the determination of the chemical compounds was performed using gas chromatography-mass spectrometry (GC-MS). Using the Orange data mining software, a heatmap was used for grouping and showing the abundance of the compounds of ten varieties. Finally, molecular docking was conducted using the software AutoDockTools 1.5.7. There were 97 chemical components in the ten EOs of andaliman fruit varieties, with the main chemical components being geranyl acetate (29.87%) and D-limonene (26.49%), and they were grouped into three clusters. The chemical components that are prospective candidates as skin anti-aging agents are geranyl acetate and D-limonene, found in abundance in the Sihalus variety of andaliman fruit. These can be developed for applications in the pharmaceutical industry. Full article

The use of herbal medicines in recent decades has increased because their side effects are considered lower than conventional medicine. Unani herbal medicines are often used in Southern Asia. These herbal medicines are usually composed of several types of medicinal plants to treat various diseases. Research on herbal medicine usually focuses on insight into the composition of plants used as ingredients. However, in the present study, we extended to the level of metabolites that exist in the medicinal plants. This study aimed to develop a predictive model of the Unani therapeutic usage based on its constituent metabolites using deep learning and data-intensive science approaches. Furthermore, the best prediction model was then utilized to extract important metabolites for each therapeutic usage of Unani. In this study, it was observed that the deep neural network approach provided a much better prediction model than other algorithms including random forest and support vector machine. Moreover, according to the best prediction model using the deep neural network, we identified 118 important metabolites for nine therapeutic usages of Unani. Full article

The potential application of Xylocarpus granatum, a mangrove species, as traditional medicine has been widely linked to its high secondary metabolite and antioxidant contents. However, few studies have been reported to identify and classify active metabolites responsible for such excellent biological activities. Therefore, the aim of this work was to determine the antioxidant activity, identify the metabolite profiles, and predict the metabolites acting as antioxidants in X. granatum extract using a gas chromatography–mass spectrometry (GC-MS)-based metabolomics approach. The seeds, stems, fruit peel, pulp, leaves, and twigs of X. granatum were macerated with ethanol. Each extract was analyzed with GC-MS, and the data were processed using mass spectrometry data-independent analysis (MS-DIAL) software to identify the metabolites. The IC₅₀ value of plant parts of X. granatum ranged from 7.73 to 295 ppm. A total of 153 metabolites were identified and confirmed in the X. granatum extracts. Among the identified metabolites, epicatechin and epigallocatechin were the two most abundant in the stem extracts and are expected to have the greatest potential as antioxidants. Principal component analysis (PCA) succeeded in grouping all parts of the plant into three groups based on the composition of the metabolites: group 1 (stems, fruit peel, and twigs), group 2 (seeds and pulp), and group 3 (leaves). Full article

Skin aging is a condition caused by reactive oxygen species (ROS) and advanced glycation end products (AGEs). Indonesian gingers (Zingiber officinale), which consists of Gajah (GG), Red (MM), and Emprit (EE) ginger, are thought to produce anti-skin aging compounds through enzyme inhibition. The enzymes used in the molecular docking study were collagenase, hyaluronidase, elastase, and tyrosinase. This study aimed to determine the compounds contained in Indonesian ginger rhizome ethanolic extracts using liquid chromatography–mass spectrometry/mass spectrometry to differentiate metabolites contained in the different Indonesian ginger rhizome extracts. A principal component analysis (PCA) and a heat map analysis were used in order to determine which compounds and extracts contained potential anti-skin aging properties based on a molecular docking study. Ascorbic acid was used as a control ligand in the molecular docking study. Ninety-eight compounds were identified in three different ginger rhizomes extracts and were grouped into three separate quadrants. The most potent compound for anti-skin aging in the Indonesian ginger rhizome extracts was octinoxate. Octinoxate showed a high abundance in the EE ginger rhizome extract. Therefore, the EE ginger extract was the Indonesian ginger rhizome extract with the greatest potential for anti-skin aging. Full article

Methicillin-resistant Staphylococcus aureus (MRSA) is an S. aureus strain that has developed resistance against ß-lactam antibiotics, resulting in a scarcity of a potent cure for treating Staphylococcus infections. In this study, the anti-MRSA and antioxidant activity of the Indonesian mangrove species Sonneratia caseolaris, Avicennia marina, Rhizophora mucronata, and Rhizophora apiculata were studied. Disk diffusion, DPPH, a brine shrimp lethality test, and total phenolic and flavonoid assays were conducted. Results showed that among the tested mangroves, ethanol solvent-based S. caseolaris leaves extract had the highest antioxidant and anti-MRSA activities. An antioxidant activity assay showed comparable activity when compared to ascorbic acid, with an IC50 value of 4.2499 ± 3.0506 ppm and 5.2456 ± 0.5937 ppm, respectively, classifying the extract as a super-antioxidant. Moreover, S. caseolaris leaves extract showed the highest content of strongly associated antioxidative and antibacterial polyphenols, with 12.4% consisting of nontoxic flavonoids with the minimum inhibitory concentration of the ethanol-based S. caseolaris leaves extract being approximately 5000 ppm. LC-MS/MS results showed that phenolic compounds such as azelaic acid and aspirin were found, as well as flavonoid glucosides such as isovitexin and quercitrin. This strongly suggested that these compounds greatly contributed to antibacterial and antioxidant activity. Further research is needed to elucidate the interaction of the main compounds in S. caseolaris leaves extract in order to confirm their potential either as single or two or more compounds that synergistically function as a nontoxic antioxidant and antibacterial against MRSA. Full article

Uric acid, which causes gout, is the end product of purine catabolism, synthesized by xanthine oxidase, guanine deaminase, adenine deaminase, purine nucleoside phosphorylase, and 5-nucleotidase II. Garlic contains bioactive compounds that have potential as antigout agents. Garlic fermentation to black garlic changes its components, which may affect its beneficial potential. This study aimed to select types of garlic (Indonesian garlic) and imported garlic, and to predict the interaction between their compounds and five target proteins through an in silico approach and a multivariate analysis, namely partial least squares-discriminant analysis (PLS-DA), to determine their different constituents. The target proteins were collected from open-access databases, and the compounds were identified using mass spectrometry data. The PLS-DA score plot succeeded in classifying the samples into three classes, with each class having a discriminatory compound. Based on the in silico studies, we predicted the best binding score of the five target proteins with seven important compounds: alliin, N-acetyl-S-allyl-L-cysteine, ajoene, pyridoxal, pyridoxamine, 4-guanidinobutyric acid, and D-glucosamine. These were mostly found in black garlic, with no different concentrations in the local and imported samples. Through this approach, we concluded that black garlic is a better candidate for antigout treatments, as several compounds were found to have good binding to the target proteins. Full article

Coronavirus disease 2019 pandemic spreads rapidly and requires an acceleration in the process of drug discovery. Drug repurposing can help accelerate the drug discovery process by identifying new efficacy for approved drugs, and it is considered an efficient and economical approach. Research in drug repurposing can be done by observing the interactions of drug compounds with protein related to a disease (DTI), then predicting the new drug-target interactions. This study conducted multilabel DTI prediction using the stack autoencoder-deep neural network (SAE-DNN) algorithm. Compound features were extracted using PubChem fingerprint, daylight fingerprint, MACCS fingerprint, and circular fingerprint. The results showed that the SAE-DNN model was able to predict DTI in COVID-19 cases with good performance. The SAE-DNN model with a circular fingerprint dataset produced the best average metrics with an accuracy of 0.831, recall of 0.918, precision of 0.888, and F-measure of 0.89. Herbal compounds prediction results using the SAE-DNN model with the circular, daylight, and PubChem fingerprint dataset resulted in 92, 65, and 79 herbal compounds contained in herbal plants in Indonesia respectively. Full article

Recently, the architectural and physical properties of the fungus comb from subterranean termite Macrotermes gilvus Hagen (Isoptera: Termitidae) mounds had been studied and it is important to determine its chemical profile as well as to evaluate its anti-staining-fungi activity. The results showed that fungus comb of M. gilvus has a high crude ash (30.57%), fiber (25.46%), starch (7.76%), protein (5.80%, 5.53% amino acid), acid-insoluble ash (3.45%), and fat (0.73%). It also contained phenol hydroquinone, steroids, terpenoids, and saponin compounds. Seventeen amino acids were identified via high-performance liquid chromatography analysis, of which arginine, leucine, glutamate, and aspartic acid were the majority. According to gas chromatography-mass spectrometry analysis, the n-hexane extract consists of several types of fatty acid derivatives. Meanwhile, the ethyl acetate (EtOAc) extracts were primarily phenol groups with 1,2,3-propanetriol (glycerol) at the highest relative concentration. Four fungus-comb extracts (n-hexane, EtOAc, MeOH, and water) inhibited the Aspergillus foetidus fungus, with inhibition rates ranging from 24.17% to 100% and EtOAc extract as the most active extract. It appears that EtOAc extracts from the M. gilvus fungus comb can be considered an active ingredient source of novel organic fungicide in preventing wood-staining fungi attacks on susceptible wood. Full article

Essential oils possess antiaging properties due to their antioxidant activity. This study aims to determine the antiaging activities of four main Indonesian essential oils and their irritation potential on the skin. The spot yeast and in vivo rat skin with UVB exposure methods were used to analyze the antiaging activity of essential oils on aging triggered by endogenous and exogenous factors, respectively. Meanwhile, patch tests and clinical evaluations were used for the skin irritation potential analysis. The antiaging activity results from the endogenous factor showed that the use of clove, patchouli, nutmeg, and citronella oils increased yeast viability at concentrations of 20, 40, 60, and 100 µg/mL, respectively. Furthermore, nutmeg, cloves, citronella, and patchouli oils decreased the wrinkle score on rat skin after UVB exposure (exogenous factor). The skin irritation potential results of patchouli, nutmeg, citronella, and clove oils were none (0), slightly (0.02), moderately (0.09), and very irritating (0.39), respectively. Full article

Background: We performed in silico prediction of the interactions between compounds of Jamu herbs and human proteins by utilizing data-intensive science and machine learning methods. Verifying the proteins that are targeted by compounds of natural herbs will be helpful to select natural herb-based drug candidates. Methods: Initially, data related to compounds, target proteins, and interactions between them were collected from open access databases. Compounds are represented by molecular fingerprints, whereas amino acid sequences are represented by numerical protein descriptors. Then, prediction models that predict the interactions between compounds and target proteins were constructed using support vector machine and random forest. Results: A random forest model constructed based on MACCS fingerprint and amino acid composition obtained the highest accuracy. We used the best model to predict target proteins for 94 important Jamu compounds and assessed the results by supporting evidence from published literature and other sources. There are 27 compounds that can be validated by professional doctors, and those compounds belong to seven efficacy groups. Conclusion: By comparing the efficacy of predicted compounds and the relations of the targeted proteins with diseases, we found that some compounds might be considered as drug candidates. Full article

Reactive oxygen species (ROS) are related to several degenerative diseases. In this study, Acacia, a genus with many fast-growing species, was investigated to explore the many phytochemical compounds that are biologically active in processes dealing with ROS-related diseases. This study aimed to select extracts of Acacia heartwood on the basis of their pharmacological and phytochemical profiles and identify their bioactive compounds. Five methanolic extracts from Acacia heartwood were evaluated for their antioxidant activity using three different in vitro assays: toxicity toward Artemia salina and phenolic and polyphenolic content. Multivariate analysis was conducted to select two promising extracts and then their bioactive compounds were identified using liquid chromatography coupled with mass spectrometry. Acacia crassicarpa extracts showed the highest antioxidant activity, as well as phenolic and hydrolyzable tannin contents, but low toxicity. The A. mangium extract exhibited high flavonoid and condensed tannin content, whereas A. decurrrens had the highest toxicity with low antioxidant activity. Pearson’s correlation analysis demonstrated no correlation between antioxidant activity and toxicity. Moreover, the phytochemical profile exhibited an association with pharmacological parameters. Principal component analysis followed by cluster analysis divided the extracts into three clusters. Two heartwood extracts of A. crassicarpa and A. auriculiformis were chosen as the best extracts. Identification showed that these extracts were dominated by phenolic compounds, as well as anthraquinone and xanthone. Full article

Background: The extract of Adenostemma lavenia (L.) O. Kuntze leaves has anti-inflammatory activities and is used as a folk medicine to treat patients with hepatitis and pneumonia in China and Taiwan. The diterpenoid ent-11α-hydroxy-15-oxo-kaur-16-en-19-oic acid (11αOH-KA) is the major ingredient in the extract and has wide-spectrum biological activities, such as antitumor and antimelanogenic activities, as well as anti-inflammatory activity. However, the physical and biological properties of this compound as an antioxidant or antiaging agent have not been reported yet. Methods: In addition to in vitro assays, we monitored antioxidative and antiaging signals in Schizosaccharomyces pombe (yeast) and mouse melanoma B16F10 cells. Results: A. lavenia water and chloroform fractions showed antioxidant properties in vitro. The A. lavenia extracts and 11αOH-KA conferred resistance to H₂O₂ to S. pombe and B16F10 cells and extended the yeast lifespan in a concentration-dependent manner. These materials maintained the yeast mitochondrial activity, even in a high-glucose medium, and induced an antioxidant gene program, the transcriptional factor pap1⁺ and its downstream ctt1⁺. Accordingly, 11αOH-KA activated the antioxidative transcription factor NF-E2-related factor 2, NRF2, the mammalian ortholog of pap1⁺, in B16F10 cells, which was accompanied by enhanced hemeoxygenase expression levels. These results suggest that 11αOH-KA and A. lavenia extracts may protect yeast and mammalian cells from oxidative stress and aging. Finally, we hope that these materials could be helpful in treating COVID-19 patients, because A. lavenia extracts and NRF2 activators have been reported to alleviate the symptoms of pneumonia in model animals. Full article

Although the intake of jack bean (Canavalia ensiformis (L.) DC.), an underutilized tropical legume, can potentially decrease the risk of several chronic diseases, not much effort has been directed at profiling the polyphenolics contained therein. Hence, this work aimed to identify and quantify the dominant jack bean polyphenolics, which are believed to have antioxidant and other bioactivities. Four major compounds were detected and identified as kaempferol glycosides with three or four glycoside units. Their structures were established based on UV-visible, 1D, 2D NMR, and HR-ESI-MS analyses. Specifically, kaempferol 3-O-α-l-rhamnopyranosyl (1→6)- β-d-glucopyranosyl (1→2)-β-d-galactopyranosyl-7-O-[3-O-o-anisoyl]-α-l-rhamnopyranoside was detected for the first time, while the other three compounds have already been described in plants other than jack bean. This new compound was found to have a higher α-glucosidase inhibition activity compared to acarbose. Full article