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All Journal Heca Journal of Applied Sciences Malacca Pharmaceutics Infolitika Journal of Data Science Indonesian Journal of Case Reports Grimsa Journal of Business and Economics Studies
Idroes, Ghifari Maulana
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Energy Engineering Environmental Science Health Professions Immunology & microbiology Medicine & Pharmacology Neuroscience Public Health Social Sciences

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Journal : Malacca Pharmaceutics

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Hybrid Handwash with Silver Nanoparticles from Calotropis gigantea Leaves and Patchouli Oil: Development and Properties Salsabila, Indah; Khairan, Khairan; Kemala, Pati; Idroes, Ghifari Maulana; Isnaini, Nadia; Maulydia, Nur Balqis; El-Shazly, Mohamed; Idroes, Rinaldi
Malacca Pharmaceutics Vol. 2 No. 2 (2024): September 2024
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/mp.v2i2.206

Abstract

When washing hands, handwashing is one way to prevent diseases caused by bacteria such as Staphylococcus aureus and Escherichia coli, the most common bacteria that can cause infections. The production of handwash utilizing silver nanoparticles as an active antibacterial agent remains a relatively infrequent practice. The synthesis of silver nanoparticles from the leaves of Calotropis gigantea, which grows in the geothermal area of Ie Seu-um Aceh Besar, has been carried out using the green synthesis method and hybrid green synthesis with patchouli oil. Handwash with active ingredients such as silver nanoparticles was successfully formulated, evaluated, and tested against S. aureus and E. coli. The organoleptic characteristics, pH, viscosity, foam height measurements, density, irritation, and antibacterial activity against S. aureus and E. coli were evaluated. The results showed that the organoleptic properties of the handwash with silver nanoparticles were not changed during a 30-day storage period, with pH values in the range of 9.7-10.3, and did not cause irritation upon using silver nanoparticle handwash. The best formula for handwashing with silver nanoparticles in inhibiting the growth of S. aureus and E. coli bacteria was F2, with inhibition zones of 12.9 ± 2.85 mm and 10.95 ± 0.8 mm, respectively. The formulated handwash with silver nanoparticles met the requirements of good liquid soap according to the Indonesian National Standard (SNI) with potent antibacterial activity.
Application of Ensemble Machine Learning Methods for QSAR Classification of Leukotriene A4 Hydrolase Inhibitors in Drug Discovery Noviandy, Teuku Rizky; Idroes, Ghifari Maulana; Mohd Fauzi, Fazlin; Idroes, Rinaldi
Malacca Pharmaceutics Vol. 2 No. 2 (2024): September 2024
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/mp.v2i2.217

Abstract

Inflammatory diseases such as asthma, rheumatoid arthritis, and cardiovascular conditions are driven by overproduction of leukotriene B4 (LTB4), a potent inflammatory mediator. Leukotriene A4 hydrolase (LTA4H) plays a critical role in converting leukotriene A4 into LTB4, making it a prime target for drug discovery. Despite ongoing efforts, developing effective LTA4H inhibitors has been challenging due to the complex binding properties of the enzyme and the structural diversity of potential inhibitors. Traditional drug discovery methods, like high-throughput screening (HTS), are often time-consuming and inefficient, prompting the need for more advanced approaches. Quantitative Structure-Activity Relationship (QSAR) modeling, enhanced by ensemble machine learning techniques, provides a promising solution by enabling accurate prediction of compound bioactivity based on molecular descriptors. In this study, six ensemble machine learning methods—AdaBoost, Extra Trees, Gradient Boosting, LightGBM, Random Forest, and XGBoost—were employed to classify LTA4H inhibitors. The dataset, comprising 636 compounds labeled as active or inactive based on pIC50 values, was processed to extract 450 molecular descriptors after feature engineering. The results show that the LightGBM model achieved the highest classification accuracy (83.59%) and Area Under the Curve (AUC) value (0.901), outperforming other models. XGBoost and Random Forest also demonstrated strong performance, with AUC values of 0.890 and 0.895, respectively. The high sensitivity (95.24%) of the XGBoost model highlights its ability to accurately identify active compounds, though it exhibited slightly lower specificity (61.36%), indicating a higher false-positive rate. These findings suggest that ensemble machine learning models, particularly LightGBM, are highly effective in predicting bioactivity, offering valuable tools for early-stage drug discovery. The results indicate that ensemble methods significantly enhance QSAR model accuracy, making them viable for identifying promising LTA4H inhibitors, potentially accelerating the development of anti-inflammatory therapies.
QSAR Modeling for Predicting Beta-Secretase 1 Inhibitory Activity in Alzheimer's Disease with Support Vector Regression Noviandy, Teuku Rizky; Idroes, Ghifari Maulana; Tallei, Trina Ekawati; Handayani, Dian; Idroes, Rinaldi
Malacca Pharmaceutics Vol. 2 No. 2 (2024): September 2024
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/mp.v2i2.226

Abstract

Alzheimer's disease (AD) is a neurodegenerative disorder characterized by cognitive decline, with the accumulation of β-amyloid (Aβ) plaques playing a key role in its progression. Beta-Secretase 1 (BACE1) is a crucial enzyme in Aβ production, making it a prime therapeutic target for AD treatment. However, designing effective BACE1 inhibitors has been challenging due to poor selectivity and limited blood-brain barrier permeability. To address these challenges, we employed a machine learning approach using Support Vector Regression (SVR) in a Quantitative Structure-Activity Relationship (QSAR) model to predict the inhibitory activity of potential BACE1 inhibitors. Our model, trained on a dataset of 7,298 compounds from the ChEMBL database, accurately predicted pIC50 values using molecular descriptors, achieving an R² of 0.690 on the testing set. The model's performance demonstrates its utility in prioritizing drug candidates, potentially accelerating drug discovery. This study highlights the effectiveness of computational approaches in optimizing drug discovery and suggests that further refinement could enhance the model’s predictive power for AD therapeutics.
Co-Authors Adi Purnawarman, Adi Amalina, Faizah BAKRI, TEDY KURNIAWAN Dian Handayani Dian Lestari, Nova El-Shazly, Mohamed Essy Harnelly Fauzi, Fazlin Mohd Hafizah, Iffah Idroes, Ghalieb Mutig Imran Imran Irma Sari Irsan Hardi Isnaini, Nadia Kadri, Mirzatul Kemala, Pati Khairan Khairan Lala, Andi Maimun Syukri, Maimun Maulydia, Nur Balqis Mohd Fauzi, Fazlin Rinaldi Idroes Ringga, Edi Saputra Salsabila, Indah Solly Aryza Suhendra, Rivansyah Teuku Rizky Noviandy TRINA EKAWATI TALLEI Zuchra Helwani, Zuchra