Unveiling the anti-obesity potential of Kemuning (Murraya paniculata): A network pharmacology approach Rizka Fatriani, Firda Agustin Kartika Pratiwi, Annisa Annisa, Dewi Anggraini Septaningsih, Sandra Arifin Aziz, Isnatin Miladiyah, Siska Andrina Kusumastuti, Mochammad Arfin Fardiansyah Nasution, Donny Ramadhan, Wisnu Ananta Kusuma Plos One, 2024 Obesity has become a global issue that affects the emergence of various chronic diseases such as diabetes mellitus, dysplasia, heart disorders, and cancer. In this study, an integration method was developed between the metabolite profile of the active compound of Murraya paniculata and the exploration of the targeting mechanism of adipose tissue using network pharmacology, molecular docking, molecular dynamics simulation, and in vitro tests. Network pharmacology results obtained with the skyline query technique using a block-nested loop (BNL) showed that histone acetyltransferase p300 (EP300), peroxisome proliferator-activated receptor gamma (PPARG), and peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PPARGC1A) are potential targets for treating obesity. Enrichment analysis of these three proteins revealed their association with obesity, thermogenesis, energy metabolism, adipocytokines, fat cell differentiation, and glucose homeostasis. Metabolite profiling of M. paniculata leaves revealed sixteen active compounds, ten of which were selected for molecular docking based on drug-likeness and ADME results. Molecular docking results between PPARG and EP300 with the ten active compounds showed a binding affinity value of ≤ -5.0 kcal/mol in all dockings, indicating strong binding. The stability of the protein-ligand complex resulting from docking was examined using molecular dynamics simulations, and we observed the best average root mean square deviation (RMSD) of 0.99 Å for PPARG with trans-3-indoleacrylic acid, which was lower than with the native ligand BRL (2.02 Å). Furthermore, the RMSD was 2.70 Å for EP300 and the native ligand 99E, and the lowest RMSD with the ligand (1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(5-pyrimidinylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one was 3.33 Å. The in vitro tests to validate the potential of M. paniculata in treating obesity showed that there was a significant decrease in PPARG and EP300 gene expressions in 3T3-L1 mature adipocytes treated with M. paniculata ethanolic extract starting at concentrations 62.5 μg/ml and 15.625 μg/ml, respectively. These results indicate that M. paniculata can potentially treat obesity by disrupting adipocyte maturation and influencing intracellular lipid metabolism.
Analysis of Multimodal Biosignals during Surprise Conditions Correlates with Psychological Traits Hendra Setiawan, Isnatin Miladiyah, Satyo Nuryadi, Alvin Sahroni Journal of Electronics Electromedical Engineering and Medical Informatics, 2024 Surprise can simultaneously represent bad or good, pleasant or unpleasant, with the same experiences since understanding how humans' physiological qualities link with their emotional or mental health is required. We conducted quantitative research to concisely correlate mental stress and emotional issues by measuring brain activity, breathing, and heart rate in real time while executing specialized audio-visual stimulation to elicit a surprise event. We evaluated the frequency and temporal domain characteristics to determine if physiological measurements matched biochemical metrics and subjective stress assessments during the elicit surprise condition experiment. We discovered that the brain is still preferable to most in recognizing a human's psychological changes over a short period of time. The temporal (T3) (r = 0.544, p = 0.005) and frontal (Fz) (r = 0.519, p = 0.008) regions were shown to correlate with salivary amylase activity. In comparison to other channels, there was a negative association between stress perception and the occipital site (O1, r = -0.618, p = 0.001). We also found that heart rate variability activity correlates with arousal perception. By looking at specific multimodal biosignals, it is possible to understand human psychological traits by recording specific physiological signals for daily mental health monitoring.
Photoplethysmograph-Based Real-time Emotion Recognition Using Logistic Regression with Heart Rate Changes Parameter Alvin Sahroni, Pramudya Rakhmadyansyah Sofyan, Nur Widiasmara, Isnatin Miladiyah Aip Conference Proceedings, 2023 Emotion is a multifaceted phenomenon that plays a critical role in enhancing one's quality of life by influencing motivation, perception, cognition, creativity, empathy, education, and decision-making. Emotion is also closely related to stress regarding previous reports. Most reported studies use a long-duration of data recording and employ complex features to classify certain emotions. However, those systems are challenging to be implemented in a real-time environment. We proposed a low-cost real-time detection system that can recognize two basic emotions. Fifteen male university students participated in this study. To elicit various emotions, we provided pictures as the visual stimuli for six seconds during the experiment from the International Affective Picture System (IAPS) database that represented five fundamental emotions (happiness, sadness, fear, surprise, and anger). We proposed a single photoplethysmograph parameter, namely Heart Rate Changes (HRC), before and after viewing a picture's event. As a single parameter, HRC can be obtained in six seconds and utilized as an input of a classifier model. We employed logistic regression as a binary classifier to differentiate positive and negative emotions. We tested with 30%, 40%, and 50% test sizes data and obtained the best performance when recognizing positive (happiness) and negative (sadness) with 47%, 55%, and 57% regarding the AUC metric. We concluded that the HRC is sensitive to sadness as negative emotion during this study rather than the others (fear and anger). Our proposed system has the possibility of real-time emotion recognition with further specific improvements for future studies.
Do clinical decision support systems for prescribing improve patient safety? a systematic literature review Sri Kusumadewi, Isnatin Miladiyah Indonesian Journal of Electrical Engineering and Computer Science, 2023 Clinical decision support systems (CDSS) are developed independently or connected to the electronic health record (EHR) or other computerized systems. The study begins with identification by searching the literature through the Google Scholar, PubMed and ScienceDirect databases. The search results obtained 5,595 articles. Forty-two articles were obtained, which were used further. Most of the research focus is on "CDSS development and evaluation". In terms of impacts, the most common is "reduce prescribing errors". One of the biggest problems reported was the presence of "alert fatigue," which was felt to be disturbing to doctors and pharmacists. CDSS must be supported by a method that is able to indicate the presence of drug-drug interactions (DDI). The use of alerts indicating the presence of a DDI should be interpreted using clinical judgment to determine the risks and benefits of a particular drug for a specific patient. The performance of CDSS is mostly reported to have been able to reduce prescribing errors, which in turn will improve patient safety. However, increased adherence to clinical protocols has not been widely reported. Complaints that are still quite a lot reported are the presence of "alert fatigue", which can interfere with effectiveness.
Short-term Pulse Rate Variability to Assess Psychophysiological Changes during Online Trier Social Stress Test (TSST) Alvin Sahroni, Isnatin Miladiyah, Nur Widiasmara Proceedings of the Annual International Conference of the IEEE Engineering in Medicine and Biology Society EMBS, 2022 Mental stress and unpleasant emotions are significant issues at the moment due to the COVID-19 pandemic, which has been spreading globally for more than a year. During the pandemic, every daily activity was oriented around utilizing an online platform to speak with one another within a company or regarding personal matters. However, how the psychophysiological state is perpetuated while engaging in online engagement is currently limited. Previous research has established a strong correlation between psychophysiological characteristics and diverse contexts. Four university students participated in this study. Each subject needed to follow four stages during an experimental design procedure called Trier Social Stress Test (TSST) namely R1, R2, R3, and R4. We retrieved the physiological and psychological data during the experiment. We observed that the mental and emotional changes that occur during the TSST procedure correlate with physiological features measured using short-term pulse rate variability in both linear and non-linear time series analysis. During an online interview, we discovered that the variation of peak-to-peak intervals was more remarkable in the post-interview session (R3) than during the baseline (R1), and pre-interview session (R2), particularly for the pSD2 parameter, which changed at a rate of 4.235 (0.017 to 0.089 seconds) on a subject. Additionally, we discovered a substantial correlation between negative emotions as measured by PANAS scores and stress level scales (r=0.81, p<0.01), indicating that stress and negative emotion have similar attributes. Our findings indicated that caution should be considered when utilizing online platforms for daily activities and employment, even in a new-normal life period.
Short-Term Pulse Rate Variability to Measure Changes in Emotion during Trier Social Stress Test Alvin Sahroni, Nur Widiasmara, Isnatin Miladiyah, Hendra Setiawan Proceedings 2022 9th International Conference on Information Technology Computer and Electrical Engineering Icitacee 2022, 2022 Negative emotions are the primary trigger of psychological states and lead to mental stress. Heart Rate (HR) and Heart Rate Variability (HRV) are physiological measurements often used to accompany mental stress. This study extends the use of short-term pulse rate variability (PRV) to measure changes in emotion as a surrogate of HRV. We studied 12 university students, and a short-term PRV was extracted from one of their index fingers using a photoplethysmography sensor. The PRV parameters were determined during each rest condition after a specific Trier Social Stress Test (TSST) (R1, R2, R3, and R4). To quantify the subjective evaluation of psychological properties, we established a Positive Affect and Negative Affect Schedule (PANAS) questionnaire to evaluate participants' emotions. Our investigation found that short-term RMSSD of PRV tended to increase significantly between R1 and R3 (p < 0.01). The PANAS scale also showed significant differences in the negative assessment scores from R1 to R3 (p < 0.05). We conclude that negative emotions are related to changes in physiological properties during stress induction using the TSST protocol. The observed trends showed an increase in PRV parameters after the main tasks. Care should be taken when interpreting the physiological changes as a direct measure of mental stress. Nevertheless, these changes are likely caused by the association between stress and negative emotion.
Utilization of Real-Time Heart Rate Changes to Classify Emotions Based on Low-Cost Device Development Pramudya Rakhmadyansyah Sofyan, Rizdha Wahyudi, Diandri Perkasa Putra, Alvin Sahroni, Nur Widiasmara, Isnatin Miladiyah Iciibms 2021 6th International Conference on Intelligent Informatics and Biomedical Sciences, 2021 Emotion is a complex phenomenon and has an essential role in supporting the quality of life and affecting motivation, perception, cognition, creativity, empathy, education, and making an important decision. Also, negative emotions such as anger, shame, and anxiety usually arise from stress, and it is referring to destructive and threatening to show a relationship between them. Therefore, research on recognizing emotions is still an important issue currently. Fifteen males university students have participated in this study. A fingertip photoplethysmograph (PPG) was used to record the heart rate variable. This study used The International Affective Picture System (IAPS) to induce particular emotions. As a subjective evaluation, we employed Self-Assessment Manikin (SAM) to evaluate the subject's emotions. Then, we compared the SAM evaluation to their heart rate properties for further investigation. The FIR Band Pass Filter was established as a pre-processing method, and a single feature was extracted from a PPG recording called Heart Rate Changes (HCR). Instead of utilizing artificial intelligence or other machine learning classification techniques, we performed if-else classification to recognize negative and positive emotions as basic emotions. We found that the HCR was significantly different between the positive and negative emotions (p<0.0001). We achieved ± 50% of accuracy while classifying the two basic emotions. We validated the results by implementing a real-time scheme detection based on a low-cost device and display it on a user-built application. Current results need improvement in future studies. We concluded that a single feature without any advanced methods is still a promising approach for real-time detection. The system was also reliable in future applications on low-cost device development.
Synergistic Effect of 1,3,6-Trihydroxy-4,5,7-Trichloroxanthone in Combination with Doxorubicin on B-Cell Lymphoma Cells and Its Mechanism of Action Through Molecular Docking Isnatin Miladiyah, Emmy Yuanita, Satyo Nuryadi, Jumina Jumina, Sofia Mubarika Haryana, Mustofa Mustofa Current Therapeutic Research Clinical and Experimental, 2020 BACKGROUND: The increasing rate of cancer chemoresistance and adverse side effects of therapy have led to the wide use of various chemotherapeutic combinations in cancer management, including lymphoid malignancy. OBJECTIVE: We investigated the effects of a combination of 1,3,6-trihydroxy-4,5,7-trichloroxanthone (TTX) and doxorubicin on the Raji lymphoma cell line. METHODS: Raji cells were treated with different concentrations of TTX, doxorubicin, or combinations thereof. Cancer cell growth inhibition was evaluated using 3-(4,5-dimethyltiazol-2-yl)-2,5- diphenyltetrazolium bromide/MTT assay to determine the half-maximal inhibitory concentration. Combination index values were calculated using CompuSyn (ComboSyn, Inc, Paramus, NJ). Molecular docking was conducted using a Protein-Ligand ANT System. RESULTS: The mean (SD) half-maximal inhibitory concentration values of TTX and doxorubicin were 15.948 (3.101) µM and 25.432 (1.417) µM, respectively. The combination index values of the different combinations ranged from 0.057 to 0.285, indicating strong to very strong synergistic effects. The docking study results reveal that TTX docks at the active site of Raf-1 and c-Jun N-kinase receptors with predicted free energies of binding of -79.37 and -75.42 kcal/mol, respectively. CONCLUSIONS: The xanthone-doxorubicin combination showed promising in vitro activity against lymphoma cells. The results also indicate that the TTX and doxorubicin combination's effect was due to the interaction between TTX with Raf-1 and c-Jun N-kinase receptors, 2 determinants of doxorubicin resistance progression.
Biological activity, quantitative structure–activity relationship analysis, and molecular docking of xanthone derivatives as anticancer drugs Isnatin Miladiyah, Jumina Jumina, Sofia Mubarika Haryana, Mustofa Mustofa Drug Design Development and Therapy, 2018 Background: Xanthone derivatives have a wide range of pharmacological activities, such as those involving antibacterial, antiviral, antimalarial, anthelmintic, anti-inflammatory, antiprotozoal, and anticancer properties. Among these, we investigated the anticancer properties of xanthone. This research aimed to analyze the biological activity of ten novel xanthone derivatives, to investigate the most contributing-descriptors for their cytotoxic activities, and to examine the possible mechanism of actions of xanthone compound through molecular docking. Materials and methods: The cytotoxic tests were carried out on WiDR and Vero cell lines, by a 3-(4,5-dimethylthiazole-2-yl)-2,5-diphenyl-tetrazolium bromide (MTT) assay method. The structural features required for xanthone’s anticancer activity were conducted by using the semi-empirical Austin Model-1 method, and continued with quantitative structure-activity relationship (QSAR) analysis using BuildQSAR program. The study of the possible mechanism of actions of the selected xanthone compound was done through molecular docking with PLANTS. Results: The three novel xanthone derivatives (compounds 5 , 7 , and 8 ) exhibited cytotoxic activity with compound 5 showed the highest degree of cytotoxicity at concentration 9.23 µg/mL (37.8 µM). The following best equation model was obtained from the BuildQSAR calculation: log 1/IC 50 = -8.124 qC1 -35.088 qC2 -6.008 qC3 + 1.831 u + 0.540 logP -9.115 (n = 10, r = 0.976, s = 0.144, F = 15.920, Q2 = 0.651, SPRESS = 0.390). This equation model generated 15 proposed new xanthone compounds with better-predicted anticancer activities. A molecular docking study of compound 5 showed that xanthone formed binding interactions with some receptors involved in cancer pathology, including telomerase, tumor-promoting inflammation (COX-2), and cyclin-dependent kinase-2 (CDK2) inhibitor. Conclusion: The results suggested that compound 5 showed the best cytotoxic activity among the xanthone derivatives tested. QSAR analysis showed that the descriptors contributed to xanthone’s cytotoxic activity were the net atomic charge at qC1, qC2, and qC3 positions, also dipole moment and logP. Compound 5 was suspected to be cytotoxic by its inhibition of telomerase, COX-2, and CDK2 receptors. Keywords: xanthones, anticancer, semiempirical AM1, BuildQSAR, molecular docking
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