Potential of Bombyx mori fibroin peptide as an inhibitor of BMP2 and TGFB1 in the treatment of pulp tissue damage Sartika Puspita, Sri Nabawiyati Nurul Makiyah, Masaki Kita, Ahmad Hafidul Ahkam Dental Journal, 2025 Background: Silk from Bombyx mori, a species of silkworm, contains fibroin, which has good biocompatibility and is potentially suitable for medical applications, especially in the treatment of tissue damage. Purpose: This study evaluated the potential interaction of B. mori fibroin peptides with bone morphogenetic protein 2 (BMP2) and transforming growth factor beta 1 (TGFB1), which are protein markers for dentine reparative activity. Methods: The research was carried out in silico. The three-dimensional structure of the proteins was obtained from the Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), and the antimicrobial potential of fibroin was evaluated using Antimicrobial Peptide Scanner v.1, the Collection of Anti-Microbial Peptides (CAMPR3), PeptideRanker, ToxinPred, AlgPred, and AllergenFP. Molecular modeling and analysis were performed with trRosetta, PrankWeb, the HDOCK server, and Discovery Studio. Results: The light chain 1 peptide (LC1), light chain 2 peptide (LC2), heavy chain 2 (HC2), and heavy chain 7 (HC7) showed high binding affinity to BMP2, while LC2, HC1, HC3, and HC6 showed high binding affinity to TGFB1 compared to silicic acid as a standard anti-inflammatory drug. Conclusion: These seven peptides can potentially interact with BMP2 or TGFB1 and might have anti-inflammatory capability.
Simplex lattice design for the development of arrowroot starch and sodium alginate with calcium chloride crosslinker as a capsule shell alternative Sabtanti Harimurti, Nabila Khaula Rahma, Dyani Primasari Sukamdi, Hari Widada, Sri Nabawiyati Nurul Makiyah, et al. Journal of Advanced Pharmaceutical Technology and Research, 2025 Gelatin, commonly used for capsule shells, is mostly imported from Europe and America to Indonesia. However, Indonesia’s rich biodiversity offers abundant natural alternatives like arrowroot and alginate. The need for local raw material independence in pharmaceuticals drives this research. This study aims to determine whether arrowroot starch and sodium alginate with calcium chloride as a crosslinker can replace gelatin capsule shells. This study involved five capsule shell formulas (F1-F5), with evaluations on characteristics, swelling %, disintegration time, dispersive X-ray, Fourier-transform infrared (FTIR) analysis, and simplex lattice design (SLD) method optimization, using commercial capsules (CCs) as a control. We used the one-sample t-test. F3 showed the best results in weight uniformity (0.22 ± 0.01 g), %swelling (45.84 ± 0.08%), and disintegration time (8.22 ± 0.85 min), compared to the CC, i.e., weight uniformity (0.12 ± 0.003 g), %swelling (43.26 ± 0.03%), and disintegration time (6.19 ± 1.38 min). Morphologically, F3 was the most homogeneous, resembling CC. FTIR analysis showed hydroxyl band from carboxylic group shifts indicating crosslinking, with notable changes from 1416.6 to 1386.9/cm in F3 and 1417.7–1394.0/cm in F5 after CaCl₂ addition. SLD validation was performed on three model-generated equations using experimental data. The differences between predicted and experimental results were 34.54% (weight uniformity), 3.12% (swelling), and 5.35% (disintegration time). A one-sample t-test showed no significant differences (α > 0.05). Arrowroot starch and sodium alginate with calcium chloride crosslinker can be used as an alternative to capsule shells.
Computational Screening of Platostoma palustre Metabolites for Anti-Inflammation Bioactivity in the Chronic Obstructive Pulmonary Disease Gene Dataset Sri Nabawiyati Nurul Makiyah, Rahmah Rahmah, Ahmad Hafidul Ahkam Research Journal of Pharmacy and Technology, 2025 Platostoma palustre, also known as Cincau (Indonesian) or Xiancao (Chinese), is a plant that has been used and consumed as an herb. Through several previous studies, the various therapeutic potentials of P. palustre have been revealed little by little. However, research related to its use in chronic obstructive pulmonary disease (COPD) particularly in its anti-inflammation bioactivity effect is still limited. So, we conducted this research as initial research to fill a little of the information gap. The study was conducted using a list of active compounds of P. palustre from existing research, and then different expressed genes (DEG) related to COPD were obtained from the Gene Expression Omnibus dataset and evaluated for their bioactivity. Then, the active compound with the highest anti-inflammatory bioactivity potential was docked with DEG to determine its binding affinity. The result shown, that the active compounds with the highest anti-inflammatory bioactivity found in P. palustre were brassinolide, D-(+)-trehalose, leukotriene B4, linolenic acid, and diosgenin. Meanwhile, the DEGs from the COPD dataset obtained are FN1, CDH2, NOS3, DNAH9, DNAH11, CACNA1H, CACNG4, TNC, BAI1, and DNAAF1. Several active compounds have high binding affinity for FN1, CDH2, and NOS3, which are expected to induce anti-inflammatory activity through the inhibition that occurs.
Virtual screening of Dioscorea alata active compound in the Sphingolipid metabolic pathway in endometriosis-related genes Sri Nabawiyati Nurul Makiyah, Ivanna Beru Brahmana, Mulyoto Pangestu, Ahmad Hafidul Ahkam Research Journal of Pharmacy and Technology, 2025 Endometriosis is a medical condition characterized by the growth of endometrial tissue outside the uterus, causing symptoms of pain and reproductive disorders in women. Expensive medical treatments open opportunities to explore herbal therapies with the potential for higher efficacy, lower side effects, and more affordable costs. Dioscorea alata is a food and herbal plant that has been used in several places. Therefore, this research aimed to evaluate the Dioscorea alata secondary metabolite potential for affecting endometriosis-related genes. The method used was to evaluate the differentially expressed genes (DEGs) from endometriosis samples, and then evaluate the potential of secondary metabolites of Dioscorea alata in influencing DEGs related to endometriosis. As a result, SGPP2 is known to be an endometriosis-related gene that plays a role in sphingolipid metabolism. Secondary metabolites of Dioscorea alata, namely diosgenin and prosapogenin, have high binding affinity and have the potential to interact with SGPP2. In conclusion, secondary metabolites of Dioscorea alata have a high potential to interact with SGPP2 and potentially influence its activity, which is an endometriosis-related gene. However, we recommend further research regarding SGPP2 as a marker for endometriosis and the potential of secondary metabolites of Dioscorea alata as SGPP2 agonists or inhibitors.
Optimization of sago starch and sodium alginate crosslink, including calcium chloride as a capsule alternative using the simplex lattice design Sabtanti Harimurti, Putri Nur Amalia, Dyani Primasari Sukamdi, Hari Widada, Sri Nabawiyati Nurul Makiyah, et al. Pharmacia, 2025 Background: Capsule shells are conventionally manufactured using gelatine, primarily sourced from bovine or porcine bones and skins, which presents significant concerns for Muslim consumers. This study seeks to optimize sago starch and sodium alginate crosslinking as viable alternatives to conventional gelatine-derived capsules. Methods: Utilizing calcium chloride (CaCl₂) as a crosslinking agent, three formulations were developed: F1 (100% sago starch), F2 (50% sago starch, 50% sodium alginate), and F3 (100% sodium alginate). The Simplex Lattice Design (SLD) was employed to determine the optimal capsule characteristics. Results: Formula F2 showed optimal characteristics with 8.165% weight uniformity deviation, 49.607% water swelling, and a destruction time of 9 minutes, 25 seconds. FTIR confirmed hydroxyl groups with absorption shifts of 1463.6–1389.06 cm-1 in F2 and 1476.7–1394.81 cm-1 in F3. Conclusion: CaCl₂ proved effective for crosslinking sago starch and sodium alginate. SLD identified a 10% starch, 90% alginate ratio as optimal, enhancing capsule uniformity and stability.
The Benefits of Uwi Plant (Dioscorea alata L.) for Health: Knowledge, Attitude, and Its Distribution in Daerah Istimewa Yogyakarta Sri Nabawiyati Nurul Makiyah, Muhammad Kamal, Masaki Kita, Lies Noer Aini E3s Web of Conferences, 2024 Uwi (Dioscorea alata L.) is a plant rich in health benefits, but many people in the Special Region of Yogyakarta (SRY) still do not realize it. This study aims to assess the level of knowledge, attitudes, and level of knowledge about the benefits for health and the distribution of uwi plants in the SRY. This is descriptive-observational research with a cross-sectional design, 578 respondents were taken by accidental sampling and non-random selection. This research used a questionnaire as an instrument. Data were analyzed descriptively. The results showed that 578 respondents had an average score of knowledge level of 86.34 ± 13.96 with a very good category, score of attitudes of 69.76 ± 11.37 and score of knowledge level of health benefits of 66.42 ± 12.57 with a fairly good category. Related to the distribution of uwi plants in the SRY, it was found that 86 respondents (14.88%) had uwi plants in their homes. It can be concluded that people in the Special Region of Yogyakarta have a very good level of knowledge about uwi plants, and have good attitudes and knowledge about the health benefits of uwi plants, but the distribution of uwi plants is still limited in this area.
Molecular Docking Investigation of Dioscorea alata Compounds Binding to CCKBR, CHRM3, CHRM5, and H2R for Gastric Ulcer Treatment Sri Nabawiyati Nurul Makiyah, Sherly Usman, Ahmad Hafidul Ahkam Trends in Sciences, 2024 Gastric ulcer is a pathological condition characterized by damage to the mucosal and submucosal tissue layers of the stomach. The main proteins targeted in the treatment of gastric ulcers are CCKBR, CHRM3, CHRM5, and H2R because of their roles in the regulation of gastric acid secretion. Dioscorea alata (DA) is known to contain various active compounds with high sapogenin, diosgenin, and dioscorin content, in addition to its carbohydrate content. We investigated the potential of DA compounds to bind to these proteins in silico. Compound and protein structures were retrieved from PubChem (https://pubchem.ncbi.nlm.nih.gov), ChemSpider (http://www.chemspider.com), and the RCSB PDB (https://rcsb.org). Proteins and compounds are prepared first, and then docked to obtain the interactions that might form, and finally visualized to observe the interactions that have been constructed. The results showed that diosgenin and prosapogenin have potential as inhibitors of CCKBR and CHRM5, and diosgenin and dimethyl batatasin IV have potential as inhibitors of CHRM3 and H2R. We conclude that diosgenin, prosapogenin, and dimethyl batatasin IV in DA compounds have the potential to inhibit CCKBR, CHRM3, CHRM5, and H2R for gastric ulcer treatment. It is necessary to further study the effect of Dioscorea alata in vitro through a gastric ulcer model study. HIGHLIGHTS Dioscorea alata (DA) is known to contain various active compounds with high sapogenin, diosgenin, and dioscorin content in addition to its carbohydrate content Gastritis (gastric ulcer) is a pathological condition characterized by damage to the mucosal and sub-mucosal tissue layers of the stomach. The main proteins targeted in the treatment of gastric ulcers are CCKBR, CHRM3, CHRM5, and H2R because of their roles in the regulation of gastric acid secretion We performed an in-silico study to investigate the potential of DA compounds to inhibit these proteins. Compound and protein structures were retrieved from PubChem, ChemSpider, and the RCSB PDB. Proteins were prepared with Swiss PDB viewer v. 4.10. Compounds were prepared with Open Babel in Cytoscape v.3.9.1. Docking was done with AutoDock Vina in PyRx v.0.9.7. Visualization was done with Discovery Studio v. 19.1 We determined that several DA compounds have the potential to act as inhibitors of CCKBR, CHRM3, CHRM5, and H2R by reviewing the predicted binding energy, competitive properties based on literature studies and the bioactivity and molecular docking analysis. The results of this study are expected to be the basis for further gastric ulcer treatment research GRAPHICAL ABSTRACT
Ovalbumin’s potential as a wound-healing medicament in tooth extraction socket by induction of cell proliferation through the ERK2 pathway in silico Sri Nabawiyati Nurul Makiyah, Sartika Puspita Dental Journal, 2023 Background: The trend of studies on dental medicaments is increasing rapidly. Antibacterial or anti-inflammatory activity is most frequently studied. Ovalbumin is one of the proteins whose benefits have been studied, but these benefits are still limited because of ovalbumin’s potential for proliferative bioactivity. Purpose: The aim of this study is to examine ovalbumin’s potential as a woundhealing medicament through molecular docking analysis on a protein related to the extracellular signal-regulated kinases/mitogenactivated protein kinase (ERK/MAPK) signaling pathway. Methods: Ovalbumin was hydrolyzed through BIOPEP-UWM (The BIOPEPUWM™ database of bioactive peptides). Protein target and interaction were predicted using Similarity Ensemble Approach target prediction webserver, SuperPred webserver, STRING webserver, and Cytoscape version 3.9.1. Selected fragments were docked using Autodock Vina in PyRx 0.8 with Tukey’s multiple comparison test and Biovia Discovery Studio version 19.1.0.18287 for visualization. Results: This study found that ovalbumin has the potential to positively regulate cell proliferation, angiogenesis, and fibroblast growth factor production. Six of the 131 fragments of ovalbumin could interact with 73 proteins, and the 20 proteins with the highest probability and score of betweenness centrality showed potential for bioactivity. Five fragments and povidone-iodine interacted inside the Adenosine triphosphate (ATP) phosphorylation site of ERK2, whereas fragment 1 (F1) and glycerin interacted outside the site. F1 could decrease the binding energy required for adenosine 5′-[,-methylene]triphosphate or an ATP-analogue chemical compound to interact with ERK2 compared to the control, with a score that was not significant. Conclusion: Ovalbumin has the potential to induce cell proliferation by affecting ERK2-ligand interactions.
Steroidal Saponin Isolated from Dioscorea alata L. Extract Improve Digestive Tract Allergy in Balb/C Mice Induced by Ovalbumin Sri Nabawiyati Nurul Makiyah, Sri Tasminatun, Muhammad Sasmito Djati, Muhaimin Rifa’i, Widodo Widodo Indonesian Journal of Pharmacy, 2023 Steroidal saponin compound in Dioscorea species is one of the crucial substance because it has some biological functions, such as immunomodulatory and anti-allergic agent. This study aims to analyze the effect of steroidal saponin of Dioscorea alata L. on CD4 T cells activation, cytokines IL-4, IL-5 and TGF-β. This study used primary lymphocyte cell which isolated from BALB/c mice spleen. Mice lymphocyte were cultured in the complete medium with presence of various concentrations (50, 25 and 12.5 µg/mL) of three isolate of steroidal saponin of D. alata for 24 h. Diosgenin was used as positive control. After 24 h of treatment, the activation of lymphocyte, IL-4 and IL-5 production was determined by Flowcytometry analysis. Data were analyzed using student t-test with p < 0.05 and p < 0.01. The results showed that the low concentration of Isolate 1 (12.5 µg/mL) was found to be effective to stimulate the activation of CD4 T cells, reduce the production of IL4 and IL-5 by CD4 T cells and increase TGF-β production. These results showed that a low concentration of steroidal saponin of D. alata could be considered as immunomodulatory and anti-allergic agent. Purification and identification of each isolate isolated from DAE is in progress.
Ethanol extracts of tubers Dioscorea alata L. as antiallergic agent on mice balb/c induced with ovalbumin International Journal of Pharma and Bio Sciences, 2014