Extemporaneous preparations are still widely prescribed for pediatric patients with special treatments of certain doses and/or combinations of drugs. Several problems related to extemporaneous preparations have been linked to the incidence of adverse events or a lack of therapeutic effectiveness. Developing nations are facing the challenges of compounding practices. The prevalence of compounded medication in developing nations must be explored to determine the urgency of compounding practices. Furthermore, the risks and challenges are described and explained through investigation and collection of numerous scientific articles from reputable databases, including Web of Science, Scopus, and PubMed. Pediatric patients need compounded medication related to the appropriate dosage form and dosage adjustment. Notably, it is important to observe extemporaneous preparations in order to provide patient-oriented medication.

Background: Dipeptidyl Peptidase IV (DPP-IV) is an established drug discovery target for type 2 diabetes mellitus (T2DM) therapy. On the other hand, molecular dynamics (MD) simulations have been widely employed to obtain insights of the protein-ligand interactions in structure-based drug design research projects. Moreover, a software to identify protein-ligand interactions called PyPLIF HIPPOS was made publicly available recently. Employing PyPLIF HIPPOS to identify the interactions of DPP-IV and its ligand ABT-341 during MD simulations was then of considerable interest. Objectives: The main aim of this study was to identify protein-ligand interactions of ABT-341 to DPP-IV during MD simulations. Material and Methods: The crystal structure of DPP-IV co-crystallized with ABT-341 obtained from the Protein Data Bank with code of 2I78 was used as the main material. YASARA-Structure was employed for performing 10 ns prodution run MD simulations with snapshots in every 100 ps and PyPLIF HIPPOS was used to identify the protein-ligand interactions. Results: There were 23 interactions involving 13 residues identified by employing PyPLIF HIPPOS during the MD simulations. Two of them identified in all snapshots, i.e., hydrophobic interactions to PHE357 and TYR666. Conclusions: PyPLIF HIPPOS was succesfully employed to identify the interactions of ABT-341 to DPP-IV during MD simulations.

Daidzein, one of the isoflavone aglycones contained in tempeh, has several biological activities such as anti-inflammatory, anti-oxidant, anti-breast cancer, and suppression of expression of matrix metalloprotease-9. As a fermented product from soybeans, daidzein content in tempeh was found in higher concentration compared to the soybean raw material. It was important to optimize several factors affecting extraction process such as particle size of tempeh simplicia, extraction time, and solvent in order to develop an effective method for the daidzein isolation from the tempeh or other natural products. Evaluation of extraction factors was conducted by applying variations for each factor followed by quantitative analysis using HPLC methods. The optimization condition was performed by daidzein standard and achieved with the particle size of tempeh simplicia of 1.2 mm, extraction time of 360 minutes, and 70% ethanol was used as solvent. Furthermore, the optimized condition was applied for the daidzein isolation from tempeh, a soybean fermented product.

We developed a method for determining the caffeic acid in spent coffee grounds. The spent coffee ground solution was prepared by blending 3 g spent coffee grounds with 60 mL ethanol/water (40/60 v/v) for 2 h on a hot plate magnetic stirrer (60 °C, 350 rpm). The mixture was filtered and the filtrate was concentrated under vacuum (60 °C) to 5 mL. The method employed a reversed-phase high-performance liquid chromatography with a UV detector. We used a Phenomenex Luna column (250 × 4.6 mm; i.d., 5 µm) under isocratic elution, and the mobile phase was acetonitrile-methanol-aqueous formic acid (10:10:80 v/v), with a flow rate of 0.9 mL/min. Analysis was performed at 324 nm. The column temperature was set at 27 °C temperature. The results showed that this method was selective for quantifying the caffeic acid in spent coffee grounds with good linearity in the range of 1.31–17.07 μg/mL. The detection and quantitation limits were 0.28 and 0.84 μg/mL, respectively. The mean intraday and interday recoveries were 83.80–95.17% and 82.16–97.40%, respectively. Intraday and interday precision expressed as the relative standard deviation (RSD) were below 7.3%. There was 0.17% ± 0.006 w/w caffeic acid in the spent coffee grounds (RSD = 3.63%, n = 3).

Objective: The objective of this study was to develop a UV spectroscopy method in combination with multivariate analysis for determining vitexin in binahong (Anredera cordifolia (Ten.) Steenis) leaves extract. Methods: The partial least square (PLS) regression and the principal component regression (PCR) was performed in this study to evaluate several statistical performances such as coefficient of determination (R2), root mean square error of calibration (RMSEC), root mean square error of cross-validation (RMSECV), root mean square error of prediction (RMSEP) and relative error of prediction (REP). Cross-validation in this study was performed using leave one out technique. Results: The R2 values of calibration data sets resulted from PLS ​​and PCR method were 0.9675 and 0.9648, respectively. The low values of RMSEC and RMSECV both for PLS ​​and PCR method indicated the minimum error of the calibration models. The R2 values of validation data sets resulted from PLS ​​and PCR method were 0.9778 and 0.9820, respectively. The low values of RMSEP both for PLS ​​and PCR method indicated the minimum error of prediction generated from the calibration data sets. Multivariate calibration techniques were applied to determine the content of vitexin in binahong leaves extract. Predicted values from the multivariate calibration models were compared to the actual values determined from a validated HPLC method. It was found that PLS models resulted in the lowest REP values compared to the PCR models. Conclusion: The chemometrics technique can be applied as an alternative method for determining vitexin levels in the ethanol solution of binahong leaves extract.