ABSTRACT
Alpha-mangostin is the major component in Mangosteen (Garcinia mangostana Linn) pericarp having severalpharmacological activities including reducing blood pressure, antidiabetic, anticancer, and antioxidants. The objectiveof this study was to develop Fourier transform infrared spectroscopy-multivariate calibration of partial least square(PLS) for quantitative analysis of alpha-mangostin and to classify mangosteen pericarp using principal componentanalysis. Mangosteen pericarps from different locations (Java provinces and South Sulawesi, Republic of Indonesia)were extracted using ethanol and were subjected to high performance liquid chromatography (HPLC) for the analysisof alpha-mangostin and Fourier transform infrared (FTIR) spectroscopy measurements. HPLC was used to determinethe levels of alpha-mangostin and used as actual values during FTIR spectroscopy analysis. The prediction of alphamangostin was obtained from the correlation between actual values and FTIR predicted values and facilitated withthe PLS model. The results showed that the wavenumbers region of 3,825–937 cm−1 offered a reliable model with acoefficient correlation (r) value of 0.9927 and root mean square error of calibration of 0.0831%. The validation modelsalso exhibited the accurate and precise results for the prediction of alpha-mangostin with an r-value of 0.9754 androot mean square error of prediction value of 0.174%. Furthermore, the chemometrics of principal component analysisusing variables of absorbances at selected fingerprint (1,000–800 cm−1) could classify mangosteen pericarp fromdifferent regions. FTIR spectroscopy combined with chemometrics offered a reliable method for quality assurance ofmangosteen pericarp
ABSTRACT
Mangosteen (Garcinia mangostana L) is one of Indonesian fruit with export commodity due to its sweet-sour andpleasant taste. The pulp of this fruit is frequently consumed freshly, while the seed and peel are removed and become awaste. The chemical components contained in mangosteen’s seed and peel, especially xanthones, have been reported asantioxidants either in vitro or in vivo. Several traditional medicine products used the extracts of mangosteen as one ofits components; therefore, the characterization of mangosteen extracts through identification of its active componentsis very important. This review article highlighted the updates on the characterization and antioxidant activities ofmangosteen’s seed and peel to prove that the wastes of mangosteen fruit could be advantageous to be developed asfunctional food as antioxidants. Several databases have been used during performing this review, including PubMed,Scopus, Biological abstracts, chemical abstracts, and Google Scholar.
ABSTRACT
The antioxidant compounds in mangosteen peel extract have characteristics, namely, unstable, reactive, and veryeasily oxidized. To protect the damage of bioactive compounds, xanthone, it needs a coating method with materialswhose effectiveness and efficiency have been proven such as maltodextrin. This study aims to examine the optimalformulations and characteristics produced from microencapsulation of mangosteen peel extract with maltodextrinfrom arenga starch. The mangosteen peel was extracted with 96% ethanol and maltodextrin was made in microparticlesize. Then, it was formulated in various balances of mangosteen peel extract with maltodextrin, respectively, asfollows: 70:30, 60:40, 50:50, 40:60, and 30:70 (%). Each formulation was homogenized for 15 minutes and hydratedfor 18 hours at 4°C. After that, the sample was homogenized for 1 minute and sprayed using a spray dryer at a feed rateof 15 ml per minute with an inlet temperature of 170°C and a pressure of 1 atm. Furthermore, the microencapsulationproducts were carried out by characterization, including particle size, zeta potential, morphology, encapsulationefficiency, and stability of microcapsules. The data were analyzed using analysis of variance. If there were significantdifferences, it would be tested using Duncan’s Multiple Range Test method. The results showed that the formulationof the ratio of mangosteen peel extract with maltodextrin had a significant effect (p < 0.05) on particle size, zetapotential, morphology, encapsulation efficiency, and stability of microcapsules. The characterization results from eachformulation reported that the ratio of mangosteen peel extract and maltodextrin at level 50%:50% (MP3) producedmore proportional characteristics than other treatments. The formulation of mangosteen peel extract with maltodextrinat a balanced ratio could be used as an alternative supply and processing of functional food.
ABSTRACT
The antioxidant compounds in mangosteen peel extract have characteristics, namely, unstable, reactive, and veryeasily oxidized. To protect the damage of bioactive compounds, xanthone, it needs a coating method with materialswhose effectiveness and efficiency have been proven such as maltodextrin. This study aims to examine the optimalformulations and characteristics produced from microencapsulation of mangosteen peel extract with maltodextrinfrom arenga starch. The mangosteen peel was extracted with 96% ethanol and maltodextrin was made in microparticlesize. Then, it was formulated in various balances of mangosteen peel extract with maltodextrin, respectively, asfollows: 70:30, 60:40, 50:50, 40:60, and 30:70 (%). Each formulation was homogenized for 15 minutes and hydratedfor 18 hours at 4°C. After that, the sample was homogenized for 1 minute and sprayed using a spray dryer at a feed rateof 15 ml per minute with an inlet temperature of 170°C and a pressure of 1 atm. Furthermore, the microencapsulationproducts were carried out by characterization, including particle size, zeta potential, morphology, encapsulationefficiency, and stability of microcapsules. The data were analyzed using analysis of variance. If there were significantdifferences, it would be tested using Duncan’s Multiple Range Test method. The results showed that the formulationof the ratio of mangosteen peel extract with maltodextrin had a significant effect (p < 0.05) on particle size, zetapotential, morphology, encapsulation efficiency, and stability of microcapsules. The characterization results from eachformulation reported that the ratio of mangosteen peel extract and maltodextrin at level 50%:50% (MP3) producedmore proportional characteristics than other treatments. The formulation of mangosteen peel extract with maltodextrinat a balanced ratio could be used as an alternative supply and processing of functional food.
ABSTRACT
One of the most common triggers of breast cancer is over-expression of estrogen receptor alpha (ERα). Long-termtherapy of tamoxifen, an ERα antagonist, can reduce patient’s quality of life because of its side effects. In the previousstudy, 2’,4’-dihydroxy-6-methoxy-3,5-dimethylchalcone (ChalcEA) was isolated as an active compound from theEugenia aquea leaves that is responsible for breast cancer treatment with positive ERα, however, the potency is lowerthan tamoxifen. The aim of this study is to find the best-modified chalcone that binds well with the ERα. Drug designapproaches used in this study were Structure-Based (Autodock 4.1) and Ligand-Based (LiganScout 4.1). Prediction ofabsorption, distribution, and toxicity parameters was employed using preADMET and Toxtree. Interactions betweentamoxifen and ERα were determined and the differences in the binding modes between tamoxifen and chalcones wereobserved. Modifina3 had pharmacophore fit score value of 76.42% and the molecular docking studies showed thelowest free energy binding (∆G) of −11.07 kcal/mol while tamoxifen of −10.15 kcal/mol. Modifina3 had absorptionand distribution properties with the percentage human intestinal absorption of 95.90%, CaCO2 of 46.95%, and proteinplasma binding of 93.55%. Toxicity prediction of Modifina3 was categorized in class III and risk assessment requirescompound specific toxicity data. These results suggest that Modifina3 has the potency to be a novel therapeuticcompound for potent ERα inhibitor targeted breast cancer.
ABSTRACT
Avobenzone is UVA sunscreen active substances, which are unstable when exposed to UV radiation, especially UVA. Theaim of this study is to determine the effectiveness and photo stability avobenzone when combined with ethyl ascorbic acid and alpha tocopherol acetate with various concentrations of ethyl ascorbic acid and alpha tocopherol by in vitro using spectrophotometric method. The photostability study of the eight variations of formula showed that the formula3, 4, 5, 6, 7 and 8 had significant differences with Formula 1 (p<0,05) and the best photostability represented by the formula 4 (avobenzone 2%, ethyl ascorbic acid2%) with avobenzone concentrations decrease by 11,82% for 15 hour using UVA lamp irradiation 4,7 mW/cm2. In effectiveness of SPF (Sun Protection Factor) value determination showed moderate protection category (SPF ±6). The percent transmission of erythema and pigmentation test showed that cream had effectiveness as sunscreen by showing the category as sun block on the area pigmentation and not to erythema areas at concentration 1000 μg/ml.
ABSTRACT
Neuraminidase (NA) plays an important role in replication and the release of a new avian influenza virion. In consequence, NA has been considered as a valid target in drug design against influenza virus. The aim of this study was to identify the new neuraminidase inhibitors using molecular docking simulation based on virtual screening from natural products compounds. The X-ray crystal structure of neuraminidase type N1 (PDB id: 3B7E) and N1 mutant (PDB id: 3NNS) using Autodock 4.2 program. Zanamivir was used as the control ligand and docked against neuraminidase type N1, further plotted between log IC50 value experiments of sialic acid derivatives compound versus log of Ki value of molecular docking. Molecular docking simulation was performed on 113 herb compounds along with zanamivir and oseltamivir as the control ligands. The result showed that the best interaction against of neuraminidase N1 and N1 mutant from herbs compound is katsumadain-A withfree energy value -7,54 kcal/mol and -7,46 kkal/mol, respectively. Katsumadain-Aformed hydrogen bond with amino acid residue Arg118 and Arg371 on neuraminidase and neuraminidase N1 mutant Katsumadain-A was also connected with Arg118 through hydrogen binding interaction. This in silico results also was proved by in vitro MUNANA assay.
ABSTRACT
Sintoc bark (Cinnamomum sintoc Bl) belongs to Lauraceae (the laurel family). It has been used empirically for a treatment for swelling caused by insects’ bites. In this study, the research examined the analgesic activity and anti-inflammation of essential oil of sintocbark using in vivo methods. The mechanism of anti-inflammation was predicted using molecular docking against COX-2. Essential oil of sintoc bark was collected by distilling through steam distillation, and then analyzed by GC-MS. Analgesic and anti-inflammatory activity was examined by in vivo, which were conducted by writhing and carrageenan-induced methods, respectively. The findings showed that the tested sintoc bark oils contained 36 components of essential oil with eugenol (38.38 %) as a major compound. In the in vivo experiments, sintoc bark oils with doses 0.005 mL, 0.010 mL, and 0.020 mL/20g body weight significantly (p<0.05) reduced the number of writhing of mice when compared to negative control group. All of doses of sintoc bark oils gave significantly affect (confidence level 99 %) compare to negative control. Sintoc oil with dose 0.2 ml/200g had the strongest inhibition compare to positive control (indometasin 10 mg/kg body weight). The molecular docking results indicated that the compounds of aryl propanoid were generally potential to inhibit COX-2.
ABSTRACT
The essential oils of three parts of the plant Alpinia malaccencis (Burm f.) (Zingiberaceae) collected from Sumedang, West Java Province has been studied. Determination of essential oil components from the rhizome, stem, and leaf of Alpinia malaccencis (Burm f.) was performed by confirmation of the linear retention index (LRI) and comparing the NIST library peak with data reported in the literature, the mass spectrum peaks with literature data. The essential oils obtained from rhizome, stem, and leaf of Alpinia malaccencis (Burm f.) by steam distillation was 1.22%, 0.25%, and 0.7%, (w/w), respectively. Rhizome oil composition was almost similar with stem oil with methyl cinnamate as the major component. Composition of leaf oil is different from rhizome and stem oil which dominated α-pinene (30.57%). The rhizome in doses 0.1 ml (47.09 %) had stronger locomotor inhibition activity compare than stem (26.97 %) and leaf oils (32.23 %) in doses 0.1 mL.
ABSTRACT
Xanthorrhizol (XNT) is one of major compounds from temulawak`s rhizome and its activity in several cancer cells is known. The aim of this study was to identify mechanism of xanthorrhizol from temulawak`s rhizome as an hERα inhibitor against breast cancer human cell lines. The cytotoxicity of XNT from temulawak`s rhizome on T47D human breast cancer cells lined by sulforhodamine B (SRB) method has been carried out, while molecular docking simulation and pharmacophore modelling methods were employed to predict mechanism of xanthorrhizol as hER inhibitor. Cytotoxicity studies showed that XNT of the isolated and standard had an IC50 100 and 55.50 μg/mL in T47D cells, respectively. Subsequently, molecular docking interaction showed that XNT might be able to compete with estradiol (E2) as a potential ERα inhibitor with the calculated binding free-energy of -8.2 kcal/mol, even the compound superimposed with tamoxifen (4-OHT). XNT formed hydrogen bonds with Arg394 and Glu353 as mention E2 and tamoxifen also formed same interaction with same residue and interacted hydrophobic bonds similar to 4-OHT with: Leu387, Leu384, Leu391, Phe404, L349, Leu346, Met388, and Leu525 of estrogen alpha Ligan Binding Domain (LBD), although 4-OHT indicated stronger hydrophobic when the tail of tamoxifen interacted with Tyr347, Asp351, Trp383 and Leu428. XNT missed two chemical features into HipHop models pharmacophore thus may result in reduced inhibitory activity against T47D compared than 4-OHT. The xanthorrhizol mechanism as a hER inhibitor is postulated as partial estrogen antagonist, is justifiable based on its competitive characteristic versus tamoxifen (OHT-200) which was located on the active side of HER-α.