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All Journal Jurnal Pendidikan Kimia (JPKim) Akta Kimia Indonesia Jurnal Ilmiah Medicamento Hydrogen: Jurnal Kependidikan Kimia Jurnal Kefarmasian Indonesia
Rahadi, I Wayan Surya
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Biochemistry, Genetics & Molecular Biology Chemistry Education Environmental Science Health Professions Medicine & Pharmacology Public Health

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In Silico Study and Pharmacokinetics Prediction of ɛ-Viniferin Compound as Anticancer Drug Candidate Dewi, I Gusti Ayu Intan Puspita; Yuda, Putu Era Sandhi Kusuma; Rahadi, I Wayan Surya
Jurnal Kefarmasian Indonesia VOLUME 13, NUMBER 2, AUGUST 2023
Publisher : Pusat Penelitian dan Pengembangan Biomedis dan Teknologi Dasar Kesehatan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22435/jki.v13i2.6556

Abstract

The ɛ-Viniferin (ɛ-VNF) is a resveratrol dimer found in grapes (Vitis vinifera) which is thought to have anticarcinogenic activity. Breast cancer is one of the biggest causes of mortality in women. Current conventional chemotherapy can give negative side effects for cancer patients. Therefore, exploration to find an alternative modality is required. HER2 (Human Epidermal Growth Factor Receptor 2) and CDK6 (Cyclin Dependent Kinase 6) are two proteins that play an important role in breast cancer cell proliferation and differentiation. This study aimed to determine the potential of ɛ-VNF in inhibiting HER2 and CDK6 by molecular docking study. This research was conducted in silico using AutoDockTools v1.5.7 software. The results were validated with PyMOL and visualized in Discovery Studio Visualizer software to see the amino acid residues generated. Prediction of pharmacokinetics and toxicity profiles of the compound were performed with SwissADME and ADMETLab web tools. The results showed that ɛ-VNF was able to bind to HER2 and CDK6 receptors with binding energies of -10,45 kcal/mol and -7,56 kcal/mol, respectively. In silico pharmacokinetics and toxicity studies showed that ɛ-VNF fulfills Lipinski’s Rule of Five and has the potential to be used as a drug candidate. Overall, the results of this study indicate that ɛ-VNF has the potential to be further investigated and developed as an anticancer drug candidate through inhibition of HER2 and CDK6 receptors.
PENGUJIAN AKTIVITAS ANTIOKSIDAN SHATA DHAUTA GHRITA DENGAN PENCUCIAN MENGGUNAKAN INFUSED WATER DAUN KAYU MANIS BALI Sanjiwani, Ni Made Sukma; Wibawa, Agung Ari Chandra; Rahadi, I Wayan Surya; Mariati, Ni Putu Ayu Mirah; Vinanda, Ketut Adelia; Pradnyandari, I Gusti Ayu Agung Ratih
Akta Kimia Indonesia Vol 9, No 2 (2024)
Publisher : LPPM, Institut Teknologi Sepuluh Nopember

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.12962/j25493736.v9i2.19950

Abstract

Shata Dhauta Ghrita (SDG) is a basic medicinal preparation for external use or cream. SDG originally had the definition of Ghrita washed a hundred times with water [14]. This study aims to make Shata Dhauta Ghrita with washing using greentea-scented cinnamon leaf infused water. Shata Dhauta Ghrita with washing using cinnamon leaf infused water with greentea aroma was analyzed for antioxidant activity and antioxidant testing optimization was carried out, namely looking for optimal conditions and results. In this study, infused water was made first, then butter, ghee and shata dhauta ghritanya were made, making shata dhauta ghritanya using washing with cinnamon leaf infused water and flavored with green tea. Testing antioxidant activity with DPPH method: Weighed 25 mg of sample dissolved with a little methanol p.a, then put into a 25 milliliter volumetric flask, the volume is sufficient to indicate the limit and homogenized (1000 µg/ml). 0.5 ml of filtrate was taken and 3.5 ml of 0.1 mM DPPH solution was added in the test tube. The test solution was allowed to stand for 30 minutes at room temperature and dark area then measured the absorbance at the maximum wavelength using UV-Vis spectrophotometer. The antioxidant activity test of shata dhauta ghrita has an IC50 value of 22,445.1 which means it has very strong antioxidant activity. This very strong antioxidant activity is because shata dhauta ghrita has active substances, namely flavonoids, because the washing uses cinnamon leaf infused water. Shata dhauta ghrita has an IC50 value of 22,445.1 which means it has very strong antioxidant activity.
Effect of Drying Temperature Variation on the Antioxidant Activity Ethanol Extract of Cocoa Bean (Theobroma cacao L.) with ABTS [2,2-azino-bis(3-ethylbenzotiazolin-6-sulphonic acid)] Method Wibawa, Agung Ari Chandra; Pramitha, Dewa Ayu Ika; Sanjiwani, Ni Made Sukma; Rahadi, I Wayan Surya; Arandika, I Wayan Wisma
Hydrogen: Jurnal Kependidikan Kimia Vol. 13 No. 4 (2025): August 2025
Publisher : Universitas Pendidikan Mandalika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33394/hjkk.v13i4.17409

Abstract

Plants contain chemical compounds that are used as natural medicinal ingredients as antioxidants and have the potential to act as free radicals. Cocoa plants are rich in polyphenols such as flavanols, which have antioxidant and anti-inflammatory properties against degenerative diseases. The aim of the research is to determine whether variations in drying temperature of cocoa bean ethanol extract (Theobroma cacao L.) affect antioxidant activity. This research is in the form of experimental research carried out in a laboratory. The drying method uses an oven for 8 hours at temperatures of 40, 50, and 60ºC. The dried cocoa beans were extracted using the maceration method using ethanol solvent. Antioxidant analysis in this study used the ABTS [2,2-azino-bis(3-ethyl-benzothiazolin-6-sulphonic acid)] method with a microplate reader at a wavelength of 630 nm. The value used to determine antioxidant activity was the IC50 value. All samples BKS 40, BKS 50, and BKS 60 had air contents of 49.34%, 32.7%, and 24.32%. The results of this study prove the antioxidant activity of cocoa bean ethanol extract (BKS 40, 50, and 60) is included in the strong category with IC50 values 86, 88, and 71 μg/mL, respectively. The results prove that temperature does not affect antioxidant activity.
Tablet Ekstrak Daun Spondias pinnata: Pengaruh Variasi Primojel® dan Maltodekstrin terhadap Karakteristik dan Stabilitas Fisik serta Aktivitas Antioksidan Suena, Ni Made Dharma Shantini; Mayuni, Putri Diah Gita; Dewi, Ni Nyoman Ayu Pramesti; Mendra, Ni Nyoman Yudianti; Rahadi, I Wayan Surya; Wardani, I Gusti Agung Ayu Kusuma
Jurnal Ilmiah Medicamento Vol 11 No 2 (2025): Jurnal Ilmiah Medicamento (In progress)
Publisher : Fakultas Farmasi Universitas Mahasaraswati Denpasar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36733/medicamento.v11i2.12233

Abstract

Cemcem leaves (Spondias pinnata) are rich in phenolic and flavonoid compounds with antioxidant potential. However, their traditional beverage form lacks stability, necessitating tablet formulation to improve stability and dosing convenience. This study evaluated the effect of varying concentrations of maltodextrin (binder) and Primojel® (disintegrant) on the physical quality and antioxidant activity of cemcem leaf extract tablets. Prior to formulation, extraction temperature optimization was performed using ultrasonic-assisted maceration at 30°C and 45°C, each for 3 minutes per cycle over three cycles. Three tablet formulations were prepared using optimized extract with different maltodextrin–Primojel® ratios: F1 (3%-8%), F2 (6.5%-5%), and F3 (10%-2%). Granule evaluation included moisture content, flow rate, angle of repose, and compressibility index. Tablets were assessed on days 1, 14, and 28 under room temperature storage for organoleptic properties, weight and size uniformity, hardness, friability, and disintegration time. Data were analyzed using Repeated Measures ANOVA and the Friedman test at a 95% confidence level. Extraction at 30°C yielded superior antioxidant activity, with lower IC₅₀ values and higher total flavonoid content and was therefore selected for formulation. All granules met physical quality standards; however, among tablet parameters, only disintegration time complied with pharmacopeial requirements. Formula F3, containing the highest maltodextrin concentration (10%) and lowest Primojel® concentration (2%), demonstrated the best physical stability from day 1 to day 28 (p > 0.05) and the strongest antioxidant activity, with the lowest IC₅₀ value (23.88 µg/mL; AAI 1.68). These findings confirm a causal relationship between excipient concentration and tablet performance, supporting F3 as a promising prototype for antioxidant supplement development.
Molecular docking of sterol derivatives in Tagetes erecta Linn. as an antiatherosclerotic agents through activation of PPARγ and LXRα receptors Rahadi, I Wayan Surya; Ratnadewi, Ni Kadek Ayu Mas; Adrianta, Ketut Agus
Jurnal Pendidikan Kimia Vol. 16 No. 2 (2024): August
Publisher : Pascasarjana Universitas Negeri Medan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24114/jpkim.v16i2.57455

Abstract

Atherosclerosis is a condition characterized by inflammation in the arteries, which is linked with the accumulation of lipids and alterations in metabolism. Considering that atherosclerosis is the main factor causing death in the world, it is necessary to carry out immediate prevention and treatment to reduce the risk of developing clinical severity. The creation of foam cells, which originate from macrophages, is considered a key element in cardiovascular ailments, particularly in the advancement of atherosclerosis. Two types of the nuclear receptors known as Peroxisome proliferator-activated receptor γ (PPARγ) and liver X receptor α (LXRα), which serve as a primary regulator of cholesterol, intracellular lipid homeostasis and they are instrumental in the process of reverse cholesterol transport (RCT). Activation of these receptors could potentially decrease foam cell formation, consequently lowering the risk of atherogenesis and reducing cardiovascular disease risk. This research aims to determine sterol derivative compounds in Tagetes erecta Linn. which have the best interaction and potential as anti-atherosclerosis through peroxisome proliferator-activated receptor γ (PPARγ) and liver X receptor α (LXRα) activation. The analysis of this study is using docking molecular analysis. The parameters observed in this study were docking score, visualization results, absorption, distribution, metabolism, excretion profile, and toxicity value. The molecular docking outcomes indicate that β-sitosterol and 7β-hydroxysitosterol possess the most favorable binding energy values. They exhibit a positive pharmacokinetic profile, with the exception of gastrointestinal absorption and respiratory toxicity.
Co-Authors Agung Ari Chandra Wibawa Arandika, I Wayan Wisma Dewa Ayu Ika Pramitha Dewi, Ni Nyoman Ayu Pramesti Gusti Ayu Intan Puspita Dewi Ketut Agus Adrianta Mayuni, Putri Diah Gita Mendra, Ni Nyoman Yudianti Ni Made Dharma Shantini Suena Ni Made Sukma Sanjiwani NI PUTU AYU MIRAH MARIATI Pradnyandari, I Gusti Ayu Agung Ratih Putu Era Sandhi Kusuma Yuda Ratnadewi, Ni Kadek Ayu Mas Sanjiwani, Ni Made Sukma Vinanda, Ketut Adelia Wardani, I Gusti Agung Ayu Kusuma