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Molecular Docking of Nigella Sativa L. with PXR Receptors and the Effect of Thymoquinone on PXR Expression in HepG2 Cells Megawati, Annik; Nurrochmad, Arief; Nugroho, Agung Endro; Lukitaningsih, Endang; Marbun, Prajona
Molekul Vol 19 No 2 (2024)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2024.19.2.11003

Abstract

ABSTRACT. The interaction between herbal remedies and drugs is a fascinating phenomenon that might cause therapeutic complications in patients. Warfarin is an anticoagulant drug that provides anti-blood-clotting effects by inhibiting the formation of vitamin K-dependent coagulation factors, and warfarin interacts with the nuclear receptor PXR, subsequently modulating cytochrome P450 during the metabolism process. St. John's wort, an herbal medicine with antidepressant effects, can alter the pharmacokinetics of warfarin. Thymoquinone is one of the active compounds in N. sativa and has pharmacological activities such as anticoagulant, antidiabetic, diuretic, antidepressant, and anti-inflammatory effects. In this study, we investigated the compounds in Nigella sativa (N. sativa) against pregnane X receptor (PXR) and evaluated the impact of thymoquinone (TQ) administration on PXR expression in HepG2 cells. The molecular docking analysis was conducted utilizing the Molecular Operating Environment (MOE) with the PXR (PDB ID: 7AXJ). At the same time, the PXR gene expression was measured using RT-PCR instruments. The RMSD value in docking represents the deviation criteria between the native ligand position and the redocking position result, indicating the capability of MOE and PDB qualification for performing molecular docking. The docking analysis showed that warfarin had the strongest binding energy (7AXJ -6.0507) by forming hydrogen binding type on Arg410. Despite TQ being the major component, it also displayed a high affinity for the two PDB IDs (7AXJ -4.5962). Furthermore, the concurrent administration of warfarin and TQ (19.27 μM) in HepG2 cells showed a significant reduction in the relative mRNA expression of the PXR gene. Given the above-mentioned findings, our study adequately enables us to predict the mechanism behind herb-drug interactions (HDIs) implicating N. sativa, specifically the TQ compound to warfarin metabolism via the activation of the PXR receptor. Keywords: Thymoquinone, expression mRNA, PXR, molecular docking, HepG2 cells.
ANALISIS DAIDZEIN DAN GENISTEIN PADA KEDELAI (Glycine max L. Merril) VARIETAS ANJASMORO, ARGOMULYO DAN DENA 2 MENGGUNAKAN METODE KCKT Sulistyowati, Etty; Martono, Sudibyo; Riyanto, Sugeng; Lukitaningsih, Endang
Media Farmasi Indonesia Vol. 13 No. 1 (2018): Media Farmasi Indonesia
Publisher : SEKOLAH TINGGI ILMU FARMASI YAYASAN PHARMASI SEMARANG

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (508.583 KB)

Abstract

ABSTRAK Kedelai (Glycine max L. Merril) tidak hanya digunakan sebagai sumber protein, tetapi juga sebagai pangan fungsional yang dapat mencegah timbulnya penyakit-penyakit degeneratif, dikarenakan kandungan isoflavon. Senyawa ini dikenal memiliki kesamaan molekul dengan estrogen. Penggunaan isoflavon sebagai alternatif hormon konvesional terapi telah meningkat dalam beberapa tahun terakhir, karena aktivitas estrogenik dan efek samping yang rendah. Daidzein dan genistein merupakan isoflavon yang banyak terdapat dalam kedelai. Penelitian ini bertujuan untuk mengetahui kandungan daidzein dan genistein pada kedelai (Glycine max L. Merril) varietas Anjasmoro, Argomulyo dan Gema yang dihasilkan dari Balai Penelitian Tanaman Aneka Kacang dan Umbi (Balitkabi) Malang. Penyarian senyawa aktif digunakan metanol hasil optimasi, selanjutnya dianalisis kandungan daidzein dan genistein dengan Kromatografi Cair Kinerja Tinggi (KCKT). Sistem KCKT yang digunakan dilengkapi kolom RP-C18 Sun Fire TMC-18 (150 mm x 4,6 mm,5µm), detektor Photo Dioda Array (PDA), sistem elusi isokratik, fase gerak metanol-air yang mengandung asam asetat 0,1 % (53:47), kecepatan alir 1,0 mL/menit. Hasil penelitian menunjukkan bahwa kandungan daidzein dan genistein pada kedelai (Glycine max L. Merril) varietas Anjasmoro, Argomulyo dan Gema diperoleh kadar daidzein dan genistein masing-masing adalah 18,69 mg/100g dan 23,67 mg/100g; 29,68 mg/100 g dan 22,15 mg/100 g; 14,15 mg/100 g dan 21,22 mg/100 g.
PENENTUAN NILAI pKa IBUPROFEN DAN EFEK PEMBENTUKAN KOMPLEKS IBUPROFEN DENGAN BETA-SIKLODEKSTRIN TERHADAP KELARUTAN IBUPROFEN -, Ariyanti; M, Suwaldi; Lukitaningsih, Endang
Media Farmasi Indonesia Vol. 9 No. 2 (2014): Media Farmasi Indonesia
Publisher : SEKOLAH TINGGI ILMU FARMASI YAYASAN PHARMASI SEMARANG

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (217.715 KB)

Abstract

Abstrak Ibuprofen merupakan obat golongan anti inflamasi non steroid dengan mekanisme menghambat isoenzim siklooksigenase-1 dan siklooksigenase-2 dengan cara mengganggu perubahan asam arakidonat menjadi prostaglandin. Senyawa ini termasuk kelas II Biopharmaceutics Classification System (BCS). Tujuan penelitian ini adalah untuk mengkaji nilai pKa dan pengaruh pembentukan senyawa kompleks ibuprofen dengan β-siklodekstrin terhadap peningkatan kelarutan ibuprofen. Metode penelitian yang digunakan untuk menentukan nilai pKa adalah dengan pengukuran absorbansi pada panjang gelombang 266 nm. Pengujian kelarutan dan optimasi kompleks antara ibuprofen dengan β-siklodekstrin menggunakan spektrofotometri ultraviolet dengan metode factorial design. Kompleks ibuprofen dengan β-siklodekstrin dievaluasi menggunakan spektrofotometri inframerah, dan dioptimasi dengan metode simplex lattice design menggunakan software design expert versi 7.1.3. Hasil penelitian ini menunjukan bahwa pKa ibuprofen adalah 4,37 ± 0,07 dan 5,24 ± 0,07. Kompleks ibuprofen dengan β-siklodekstrin yang terbentuk dievaluasi secara spektrofotometri inframerah menunjukan hilangnya puncak gugus -C=O- dari ibuprofen pada bilangan gelombang 1721 cm-1 dan transmisi baru dengan transmisi 12,77% pada bilangan gelombang 1908 cm-1 dan 9,785 pada bilangan gelombang 1698 cm-1. Peningkatan kelarutan ibuprofen dikompleks dengan β-siklodekstrin adalah 2,30 kali ± 0,12 pada pH 2,39; 1,30 kali ± 0,16 pada pH 6,39; 1,74 kali ± 0,06 pada pH 3,2 dan 0,99 kali ± 0,02 pada pH 7,2. Komposisi kelarutan optimum pada pH 2,39 dan 6,39 adalah pada pH 2,39, suhu 30°C, ibuprofen 100 mg, dan β-siklodekstrin 200 mg, sedangkan pada pH 3,2 dan 7,2 adalah pada pH 3,2, suhu 45°C, ibuprofen 100 mg, dan β-siklodekstrin 200 mg.
Validation of Analytical Method for Vitamin A in Bioadhesive Ocular Cationic Nanoemulsion Loaded into Thermosensitive Gel Using RP-HPLC Fatimah, Siti Fatmawati; Lukitaningsih, Endang; Martien, Ronny; Nugroho, Akhmad Kharis
Indonesian Journal of Chemistry Vol 24, No 5 (2024)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.93395

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Various test methods have been previously documented for determining vitamin A levels in different dosage forms. This study specifically examines an isocratic reverse phase-high performance liquid chromatography (RP-HPLC) method designed for the direct extraction of vitamin A. The objective is to validate an analytical method for quantifying vitamin A in bioadhesive cationic nanoemulsions incorporated into thermosensitive gels. The method employs isocratic RP-HPLC with a YMC-Triart C18 column (L1), dimensions of 4.6 mm × 250 nm, particle size of S-5 µm, and a UV detector at λ = 265 nm. The mobile phase consists of HPLC-grade methanol, acetonitrile, and n-hexane in a ratio of 46.5:46.5:7. Validation parameters were assessed including selectivity, linearity, accuracy, precision, limit of quantification (LOQ), and limit of detection (LOD). Correlation coefficients were determined with an R2 value of 0.9995 in the concentration range of 264–396 μg/mL (w/v). Recovery percentages ranged from 99.295% to 99.878%. Repeatability and intermediate precision relative standard deviations (RSD) were found to be 0.318% and 0.254%, respectively. The LOD was established at 2.018 μg/mL, and the LOQ was determined to be 6.114 μg/mL. The results affirm cost-effective and well-suited for the accurate measurement of vitamin A levels in bioadhesive thermosensitive gel formulations.
Kinetics study of paracetamol production from para-aminophenol and acetic anhydride Rifki Wahyu Kurnianto; Mohammad Fahrurrozi; Hilda Ismail; Raden Rara Endang Lukitaningsih; Indah Tri Nur'aini; Pudjono Lukitaningsih; Rochmadi Lukitaningsih; Ari Sudarmanto; Ratna Asmah Susidarti
Jurnal Rekayasa Proses Vol 15 No 1 (2021): Volume 15, Number 1, 2021
Publisher : Jurnal Rekayasa Proses

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jrekpros.64551

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In the last decade, Indonesia intensifies the efforts to reduce pharmaceutical imports. One of the initiatives is establishing a paracetamol production facility to start operating in 2024. Kinetics study is needed as a basis to design the paracetamol reactor. This study investigated the optimal temperature, reactant mole ratio, and agitation speed in the reactor for paracetamol production. In this study, aqueous solution of para-aminophenol was reacted with acetic anhydride. The mole ratio of para-aminophenol to acetic anhydride was varied to 1:1, 1:1.2, 1:1.5, and 1:2 while the temperature was varied to 80 °C, 90 °C, and 110 °C. However, due to uncontrolled heat of the reaction and limitation of the mixture’s boiling point, the actual reaction temperatures were 86 °C, 90 °C, and 108 °C. In addition, the agitation speed of 250 RPM and 350 RPM were also studied. Thin layer chromatography (TLC) and densitometry were used to determine the concentration of paracetamol in the reacting mixture. The optimum temperature, reactant mole ratio, and agitation speed in this study were 108 °C, 1:1.5, and 350 RPM, respectively. In addition, a reaction performed under those operating parameters gave the reaction rate constant of 1.95 L mol-1 min-1.
Formulation and Antibacterial Activity of Averrhoa bilimbi L. Fruits Extract in Vegetable Oil-Based Liquid Hand Soap Hayati, Rima; Sari, Amelia; Hanum, Faridah; Nabilah, Nada; Earlia, Nanda; Lukitaningsih, Endang
Malacca Pharmaceutics Vol. 1 No. 1 (2023): June 2023
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/mp.v1i1.35

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The main method of preventing infections is good hand cleanliness. Bilimbi (Averrhoa bilimbi) fruits contains flavonoids, which have been tested for antibacterial activity. Polar chemicals like flavonoids are often extracted using ethanol as a solvent.  Therefore, this study aimed to formulate an ethanol extract of A. bilimbi fruits in the form of hand soap. This formulation used vegetable oils such as olive oil, coconut oil, and castor oil, which are high in fatty acids to maintain healthy skin. Antibacterial activity was carried out against Staphylococcus aureus and Escherichia coli. The extract was prepared by maceration for 5 days using an ethanol solvent. Liquid soap contained A. bilimbi fruit extracts at 5% (F1) and 10% (F2). The F1 and F2 organoleptic tests showed the preparation as a thick liquid with a distinctive coconut oil aroma, light brown (F1) and brown (F2) color. pH values of 5.8 (F1) and 5.6 (F2). Foam height stability was 71.5% (F1) and 73.1% (F2). The specific gravity for the two formulas was 1.02 g/mL. The viscosity of F1 and F2 was 137.6 cP and 163.5 cP, respectively. Inhibition power against S. aureus using the agar diffusion method by measuring the diameter of the inhibition zone showed strong (F1) and very strong (F2) categories The inhibition against S. aureus showed strong (F1) and very strong (F2) categories. While F1 has no inhibitory power against E. coli, F2 showed inhibition in the strong category. Based on our research, it can be concluded that A. bilimbi fruit extract can produce good hand soap and have bacteria-inhibiting activity. However, further formula development is still needed to obtain preparations that meet all the requirements and stability tests.
Volatilomics Profiling of Counterfeit Perfume by Gas Chromatography Hyphenated to Mass Spectrometry and Fourier-Transformed Infrared Spectroscopy Hidayah, Siti Nurul; Suma, Artania Adnin Tri; Lukitaningsih, Endang
Indonesian Journal of Chemistry Vol 24, No 6 (2024)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.96313

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To prevent deleterious effects on consumers and potential health damage caused by counterfeit perfumes, this study aims to distinguish the original perfume from its suspected counterfeit products. Fingerprint and volatilomics profiling was performed using attenuated total reflection-Fourier infrared spectroscopy (ATR-FTIR) and gas chromatography hyphenated to mass spectrometry (GC-MS). Headspace (HS)-GC-MS was optimized to analyze perfume samples containing water. In the presence of water, our optimized HS-GC-MS method shows linalool's consistent signal intensity, providing an alternative analytical method for water-based perfume formulation. The GC-MS chemical characterization revealed 45 compounds detected in the original sample but only four compounds were detected in the counterfeit products: linalool, citronellol, methyl jasmonate, acetic acid, and propanol. This suggests a clear difference in the formulation of counterfeit products. Counterfeit products also cheat by using a lower amount of ingredients. Relative quantification shows that linalool in counterfeit products was as low as only 5.1% of the amount in the original product. In addition, cheaper and hazardous materials like methanol and 6,7-dihydrogeraniol were detected in counterfeit products. The combination of ATR-FTIR, GC-MS, and HS-GC-MS demonstrated fast authentication of counterfeit perfumes for routine quality control purposes and the possibility of water-based perfume analysis.
Amikasin: Profil Penggunaan pada Pasien Dewasa Rawat Inap di RSUP Dr.Sardjito Yogyakarta berdasarkan Fungsi Ginjal Utami, Esti Dyah; Puspitasari, Ika; Asdie, Rizka Humardewayanti; Lukitaningsih, Endang; Dahesihdewi, Andaru
JFIOnline | Print ISSN 1412-1107 | e-ISSN 2355-696X Vol. 13 No. 1 (2021): Jurnal Farmasi Indonesia
Publisher : Pengurus Pusat Ikatan Apoteker Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (418.829 KB) | DOI: 10.35617/jfionline.v13i1.9

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Amikacin is used for serious infection treatment, with a nephrotoxicity incidence of 3-13%. More than 90% of amikacin is excreted through the renal in unchanged form, thus accumulation may occur in renal dysfunction. This research is aimed to determine the amikacin usage profiles based on the patient’s renal function and evaluate the association between a renal function with hospital discharge conditions and length of stay (LOS). This research was conducted by collecting the medical record data of adult inpatients at Dr. Sardjito Hospital treated with amikacin in 2020. A Chi-Square test was used to determine the proportion differences between 2 groups of patients with different renal functions, and the relationship of renal function with discharge condition and LOS. The majority of 78 subjects had normal renal function, with a diagnosis of mixed infection. Amikacin was used as definitive therapy, as an antibiotic combination, with a median dosage of 14.3mg/kgBW/day, 12 hours interval, and 5 days duration. Results showed that the CrCl, infection type, comorbid, amikacin intervals and duration had significantly different proportions (p<0.05) between patients with normal renal function and those with renal dysfunction. Renal function was positively associated with the patient’s discharge condition, but not with LOS.
Anti-aging Effect of Black Garlic Through Anti-senescence, Gelatinase Inhibition Mechanism, and Formulation of NLC Serum Effendi, Fatiha Citra; Nabila, Klarissa; Maharani, Dini; Widayanti, Wasita Rachma; Jauhari, Fahmi Ihsanuddin; Meiyanto, Edy; Lukitaningsih, Endang
Majalah Obat Tradisional Vol 30, No 1 (2025)
Publisher : Faculty of Pharmacy, Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/mot.90878

Abstract

Aging associated with cellular senescence was responsible for the degradation of collagen and elastin by activation of matrix metalloproteinases (MMPs) that produced wrinkles. Black garlic is known to have an anti-aging potency on premature aging. This study aims to reveal the anti-aging potency of black garlic through anti-senescence and gelatinase inhibition mechanisms and its formulation of Nanostructured Lipid Carrier Serum. Black Garlic Extract (BGE)  was macerated with ethanol 50% then heated with low temperature at 50°C. The extract obtained was profiled with Thin Layer Chromatography and antioxidant activity was determined using 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay. The cytotoxic effect of BGE was examined using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay on Vero cells. Anti-senescence effect of BGE was conducted by SA-β-Gal assay. The inhibition of gelatinase activities was predicted by molecular docking using MOE2010 software. The preparation of Nanostructured Lipid Carrier (NLC) is done by High Shear Homogenization method, then the best formula continued to make NLC-BGE Serum. The BGE contained S-allyl cysteine as a major organosulfur compound. BGE showed non-toxic to Vero cells with IC50 >500 μg/mL. Furthermore, 50 μg/mL of BGE showed inhibits doxorubicin-induced senescence in Vero cells. BGE also appeared to have good affinity on inhibitory domains of MMP-1 (∆G -7,754 kcal/mol) and MMP-2 (∆G -9,130 kcal/mol). NLC-BGE serum formula has met nanoparticles criteria and showed good stability. Based on this study, BGE revealed anti-senescence and gelatinase inhibition that is considered to have high anti-aging properties and can be applied in the NLC-BGE serum formula.
Anti-Aging Efficacy of Averrhoa bilimbi Fruit Extract Cream: A Human Clinical Trial Suharsanti, Ririn; Ryan Radix Rahadhian, Muhammad; Sugihartini, Nining; Lukitaningsih, Endang
Jurnal Jamu Indonesia Vol. 10 No. 2 (2025): Jurnal Jamu Indonesia
Publisher : Tropical Biopharmaca Research Center, IPB University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/jji.v10i2.401

Abstract

Averrhoa bilimbi, a plant native to Indonesian, exhibits antioxidant, sunscreen, and tyrosinase inhibitory activities due to its polyphenol and flavonoid content. This study aimed to evaluate the anti-aging efficacy of a topical cream containing A. bilimbi fruit extract through a human clinical trial. The extract was obtained by maceration using 70% ethanol and formulated into a water-in-oil (W/O) cream at concentrations of 1% (F1), 3% (F2), and 5% (F3). Each formulation was evaluated for its physical characteristics, including organoleptic properties, homogeneity, pH, and viscosity. Irritation tests were conducted on animals and human volunteers. A total of 24 human subjects applied the cream for 30 days. Skin condition parameters—sebum, moisture, pigmentation, pore size, elasticity, and collagen fibers—were assessed before and after treatment using a skin analyzer. The results showed that the F3 formulation produced the most notable improvements, including increased skin moisture and elasticity, and decreased pigmentation and pore size. Statistical analysis revealed significant improvements (p < 0.05) in pore size and elasticity for the F3 group. These findings indicate that the 5% A. bilimbi extract cream is a safe and effective anti-aging topical formulation.
Co-Authors -, Ariyanti -, Sutriyanto Abdul Rohman Abdul Rohman Aditya Wisnusaputra Aditya Wisnusaputra, Aditya Adjara, Syafia Mustika Ag. Yuswanto Ag. Yuswanto Agung Endro Nugroho Aisyah, Andi Nur Akhmad Kharis Nugroho Alfat Fadri Amalia Miranda Amalia, Dita Amanita K. Hana Amelia Sari Andaru Dahesihdewi Andi Nur Aisyah Annisa Novarina Ardian Widyatmoko Argandita Meiftasari Ari Sudarmanto Ari Sudarmanto Arief Nurrochmad Arifah, Mitsalina Fildzah Artania Adnin Tri Suma B. S. Ari Sudarmanto Burhan, Asril Bustomi, Tomy Bustomi, Tomy Daniel Happy Putra Devyanto Hadi Triutomo Dini Maharani Dirman, Arifin Dwi Hastutik Earlia, Nanda Edy Meiyanto Effendi, Fatiha Citra Erna Prasetya Ningrum Esti Dyah Utami Etty Sulistyowati Fawzy, Salsabila Yusfita Fita Rahmawati Hanum, Faridah Hayati, Rima Hilda Ismail, Hilda I Gede Agus Juniarka I Gede Agus Juniarka, I Gede Agus Ika Puspita Sari Ika Puspita Sari Ika Puspitasari Ika Puspitasari Indah Purwantini Indah Tri Nugraha Indah Tri Nur'aini Irfan Muris Setiawan Jauhari, Fahmi Ihsanuddin Khairunissa Irnanda Kurnianto, Rifki Wahyu La Ode Muhammad Andi Zulbayu Laeli Muntafi&#039;ah Lina Primadesa, Lina Lisa Andina Lora Johana Tamba M, Suwaldi Marbun, Prajona Marlyn Dian Laksitorini Marwati Marwati Melania Perwitasari, Melania Meti Christiana Mohammad Fahrurrozi Mufrod, . Mufrod, . Muhammad Bahi Muhammad Bahi Muhammad Fahrurrozi Mustanir Mustanir Mutia Kusuma Wardani Nabila, Klarissa Nabilah, Nada Nanang Fakhrudin, Nanang Nining Sugihartini Noegrohati, Sri Pawestri, Sekar Ayu Pudjono Lukitaningsih Pudjono Pudjono Purwantiningsih Purwantiningsih Purwantiningsih Radilla Mutia Ragil S. Dianingati Rahim, Kurnia Rahmawati, Adillah Ratna Asmah Susidarti Ratna Asmah Susidarti Ratna Budhi Pebriana Ririn Suharsanti, Ririn Rizka Humardewayanti Asdie Rochmadi Lukitaningsih Rochmadi Rochmadi Ronny Martien Rumiyati Rumiyati Rumiyati Rumiyati Rumiyati Rumiyati Rumiyati, Rumiyati Rusydan, Azka Muhammad Ryan Radix Rahadhian, Muhammad Samsul Hadi Samsul Hadi Saputra, Lucky Octavianus Saputri, Revita Sekar Ayu Pawestri Siti Fatmawati Fatimah, Siti Fatmawati Siti Mufidatul Khasanah Sri Noegrohati Sri Noegrohati Standie Nagadi Subagus Wahyuono Subagus Wahyuono Sudarmanto, B.S. Ari Sudarmanto, Bambang Sulistyo Ari Sudibyo Martono Sugeng Riyanto Suwaldi . Suwaldi Martodihardjo Syamsu Nur Syamsu Nur, Syamsu Ulrike Holzgrabe Wardani, Ratih Kurnia Widayanti, Wasita Rachma Widyasari Putranti Wirasti, Wirasti Wiwik Supriati