Journal of Food and Pharmaceutical Sciences

Interaction Dynamics of Caffeine in the Human Acetylcholinesterase Binding Pocket

Bonifacius Ivan Wiranata, Enade Perdana Istyastono — Sun, 30 Mar 2025 11:44:26 +0700

Alzheimer’s disease (AD) cases are increasing in Indonesia, with no effective therapy due to multiple hypotheses about its causes. The cholinergic hypothesis, focusing on acetylcholinesterase (ACHE) inhibition, is a key therapeutic approach. Caffeine, a natural compound, shows a potent activity as an AChE inhibitor. This study used computational methods to investigate the interaction dynamics of caffeine with the AChE’s active site. This study performed 100 redocking simulations of donepezil to validate the docking protocol followed by 100 molecular docking simulations of caffeine. The 50-ns molecular dynamics (MD) production phase simulations of donepezil and caffeine were performed to study the interaction dynamics, such as conformational stability and binding free energies. The interaction hotspots during the simulations were identified using PyPLIF HIPPOS. Our findings reveal that caffeine interacted in the active site during the simulations and the importance of Glu202 and Phe338 in helping caffeine reside within the esteratic site of AChE.

Antioxidant and Anticancer Activities of Spatholobus littoralis Stem Extract: An In Vitro and In Silico Computational Investigation

Sun, 30 Mar 2025 11:48:07 +0700

The stem of Spatholobus littoralis has been used to treat cancer and is empirically utilized by the Dayak people on the island of Kalimantan, Indonesia. This study aims to explore the antioxidant activity of Bajakah stems extracted using nine different solvent variations and to test their anticancer activity and toxicity in silico. The in vitro methods used to assess antioxidant activity are the DPPH and ABTS assays. The applications utilized for the in silico methods include SwissADME, Deep-PK, ProTox 3.0, STITCH, and AutoDock Vina. The test results show that the antioxidant activity of the 70% ethanol extract has a good profile. Meanwhile, the toxicity test of the contained bioactive compounds indicates a good safety level with a minimum IC50 value of 1034 mg/kg. The bioactive compounds exhibit good affinity, with the highest values for the bioactive daidzein at receptors 1di8 and 3twj, with values of -9.5 and -8.8, respectively. It can be concluded from this study that the stem of Spatholobus littoralis has potential as an anticancer agent, although its antioxidant potential is low.

Nutritional Value of Bitterballen Substitued with Pumpkin and Snakehead Fish as Alternative Protein-Source Snack for School-Age Children

Sun, 30 Mar 2025 11:48:31 +0700

Background: Protein-energy deficiency in school-age children is one of the problems caused by malnutrition in Indonesia. The potential local food ingredients can be used to prevent protein-energy deficiency. This research was conducted to determine the effect of substituting snakehead fish and pumpkin on the nutritional value of bitterballen.

Method: This research is an experimental study. The substitution of pumpkin and snakehead fish was made using four formulas. The nutritional value of energy, protein, fat, and total carbohydrate was assessed to analyze the portion recommendation.

Result: The energy content of raw bitterballen was increased, but decreased sequentially after cooking. The protein content of raw bitterballen was increased, however, in the fried bitterballen it was decreased sequentially. The fat content was increased drastically in all formulations after cooking. Total carbohydrate content was decreased both in the raw and fried bitterballen.

Conclusion: In raw bitterballen, the energy content was higher in the substituted formula, mainly due to the increase in protein and fat from the addition of snakehead. The carbohydrate content decreased with adding pumpkin since it contains relatively low carbohydrates. The recommended portion for a snack is two pieces of fried bitterballen (50 g) per serving to meet the energy-protein needs of school-age children.

Comparison of Vitamin B1 (Thiamin hydrochloride) Level in Brown Rice (Oryza nivara S.D.Sharma & Shastry) and Cooked Brown Rice by Alkalimetry Methods

Sun, 30 Mar 2025 11:48:47 +0700

Brown rice (Oryza nivara S.D.Sharma & Shastry) is a rice variety that belongs to the Graminae family. Brown rice contains vitamins A, B, C, Zn and B complex. Vitamin B1 is one type of vitamin that is not stable. Its stability is influenced by pH, temperature and processing. The purpose of this study was to determine the comparison of vitamin B1 levels in brown rice and cooked brown rice. The study began with a qualitative test of vitamin B1 using 10% Pb acetate and 6 N NaOH if a yellow color and brown precipitate formed after heating, the sample was positive for vitamin B1. Determination of vitamin B1 levels in brown rice and cooked brown rice by alkalimetric method using NaOH as a titer that has been standardized in advance with potassium biftalat 0.1 N. Data analysis using the Mann Whitney test is an alternative to the Independent T-test if the t-test requirements are not met. The Mann Whitney test is used to determine whether or not there is a difference between two independent samples. The results of the qualitative test of vitamin B1 in brown rice and cooked brown rice showed that the samples were positive for vitamin B1. The quantitative test results of vitamin B1 levels in brown rice and cooked brown rice obtained an average of 12.40 mg / kg and 4.96 mg / kg. Statistical test results, the significance value (p) = 0.043, where p < 0.05 means there is a significant difference in vitamin B1 levels in brown rice and cooked brown rice. The conclusion of this study is that vitamin B1 levels in brown rice are higher than vitamin B1 levels in cooked brown rice.

Optimization of Liquid Paraffin as an Emollient and Propylene Glycol as a Humectant in the Formulation of Body Lotion containing Alpha-Arbutin

Singgih Ardi Pradipta, Lilies Wahyu Ariani, Wulan Kartika Sari — Sun, 30 Mar 2025 11:49:07 +0700

Dry skin due to sun exposure can be prevented by using moisturizer. Moisturizer can be found in body lotion preparations in the form of emollients such as liquid paraffin and humectants such as propylene glycol. The purpose of this study was to determine the effect and optimum concentration of liquid paraffin and propylene glycol on the physical characteristics and moisturizing power of body lotion and to determine the antioxidant activity and physical stability of the optimum formula of alpha-arbutin body lotion. The comparison of liquid paraffin and propylene glycol concentrations was determined based on the design expert 10.0.1 simplex lattice design method. The formula for the comparison of liquid paraffin and propylene glycol is FI (8.5:10.5); FII (10:9); III (10:9); FIV (5.5:13.5); FV (7:12); FVI (4:15); FVII (4:15); FVIII (7:12). The test parameters used in determining the optimum formula are pH, viscosity, adhesion, spreadability and moisture. The results of the test using the T-test. Based on the results of the study, the optimum formula was obtained at a concentration of 10% liquid paraffin and 9% propylene glycol. The conclusion of this study is that liquid paraffin or propylene glycol increases pH, viscosity, spreadability, adhesion and moisture content while the combination of the two materials increases spreadability, adhesion, moisture content and decreases pH and viscosity. The results were validated by the T-test showing that all parameter results were not significantly different. The optimum antioxidant formula test produced an IC₅₀ value of 159.09 ppm which is included in very weak antioxidants and after going through a cycling test, an increase in pH value, adhesion, spreadability and decreased viscosity were obtained but were still stable in color, odor and homogeneity.

Optimization of Formulation and Physical Evaluation of Peel-Off Gel Face Mask from Clove Leaf Essential Oil (Syzygium aromaticum L.)

Nadia Miftahul Jannah, Yogi Prasetyo — Sun, 30 Mar 2025 11:49:39 +0700

Acne is an inflammatory infection triggered by Propionibacterium acnes bacteria. Clove leaf essential oil (Syzygium aromaticum L.) has attracted attention as a potential active ingredient in skincare products, such as peel-off gel face masks, due to its anti-inflammatory properties. This study aims to develop a natural, effective, and safe skincare product for treating acne using clove leaf essential oil as the active ingredient. The active ingredient was 2% essential oil, with formulation optimization of PVA (1–2.5%) and propylene glycol (5–6.5%). The physical evaluation of the formulations included organoleptic properties, homogeneity, pH, spreadability, viscosity, and drying time. The optimum formulation of the peel-off gel face mask containing clove leaf essential oil was achieved with a PVA concentration of 1.163% and propylene glycol at 6.333%, with a desirability value of 1.000. The physical evaluation results of the optimum formula showed a pH value of 5.90, a spreadability of 6.60 cm, a drying time of 26.08 minutes, and a viscosity of 30,682.50 cps.

Ethnomedicine Study on Medicinal Plants in Nanggulan District, Kulon Progo Regency

Sun, 30 Mar 2025 11:49:54 +0700

Despite the advancements in conventional medicine, medicinal plants continue to play an important role in treating different human ailments, particularly in developing nations. This is based on locals' knowledge of medicinal plants for treating various ailments. Ethnomedicine is a branch of research investigating society's local wisdom for maintaining its health. According to diverse field studies, 40 different varieties of plants have been discovered that the native inhabitants of Kulon Progo Regency think are medicinal. The purpose of this research was to identify therapeutic herbs used by the Kulon Progo population. Traditional healers and members of the Kulon Progo village were interviewed as part of this study. The ethnomedicine data was analyzed using Use Value (UV), Frequency of Citation (FC), and Plant Part Value (PPV). The analytical results suggest that turmeric (0.78), galangal (0.67), and ginger (0.67) are the most important plants to society. Rhizomes (38.10%) and leaves (34.52) are the most commonly employed plant parts for medicinal purposes. Boiling it (47.06%) produces herbal medication from the plant extract.

The Effect of Extraction Time Variation on Caffeine Content in Robusta Coffee Extract using Ultrasound-Assisted Extraction Method

Sun, 30 Mar 2025 11:50:09 +0700

West Lampung Robusta coffee has a higher caffeine content than other types of coffee. The variations in extraction time in ultrasound-assisted extraction (UAE) produced different caffeine contents than conventional extraction methods. This study aims to determine extraction time variation (15, 30, 45) influences caffeine contents in roasted coffee beans. The organoleptic test and alkaloid test evaluated Robusta coffee qualitatively. The extract obtained was measured by measuring the % MC, yield value, and wavelength scanning. Quantitative analysis using UV-Vis Spectrophotometry determined the caffeine content with different extraction times, and then each group was assessed using SPSS software. The coffee bean powder was dark brown, had a distinctive coffee aroma, bitter taste, and smooth texture, and contained alkaloids with the Mayer, Wagner, and Dragendorff tests. The yield and % water content of extract at 30 (36.938%; 6.39%) were higher than at 15 (24.111%; 6.07%) and 45 minutes (22.170%; 6.37%). Alkaloids of the extract were investigated at a wavelength of 273 nm. Caffeine contents were 0.977 ± 0.018 mgCE/mg at the 15, 0.792 ± 0.054 mgCE/mg at the 30, and 0.979 ± 0.026 mgCE/mg at the 45 minutes in significant (P<0.05). In conclusion, the difference in extraction time impacted the caffeine content of the robusta coffee bean.