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All Journal Tropical Medicine Journal Journal of the Medical Sciences (Berkala Ilmu Kedokteran) Pharmaciana: Jurnal Kefarmasian Jurnal Teknosains Program Kreativitas Mahasiswa - Penelitian Indonesian Journal of Biotechnology Majalah Obat Tradisional Science and Technology Indonesia Indonesian Journal of Chemistry Jurnal Pendidikan Kedokteran Indonesia: The Indonesian Journal of Medical Education Molluca Journal of Chemistry Education (MJoCE) Jurnal Penelitian Pendidikan, Psikologi Dan Kesehatan (J-P3K) Journal of Multidisciplinary Applied Natural Science Makara Journal of Science Occupational and Environmental Medicine Journal of Indonesia Engagement: Jurnal Pengabdian Kepada Masyarakat Indonesian Journal of Pharmacology and Therapy
Eti Nurwening Sholikhah
Departement Of Pharmacology And Therapy, Faculty Of Medicine, Public Health, And Nursing, Universitas Gadjah Mada
Religion Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Education Energy Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Materials Science & Nanotechnology Mathematics Mechanical Engineering Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences

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Allyl-Modified of Calix[4]resorcinarene Derivatives for HER2 Inhibition Agents: An In Silico Study Fitria, Anggit; Kurniawan, Yehezkiel Steven; Ananto, Agus Dwi; Jumina, Jumina; Sholikhah, Eti Nurwening; Pranowo, Harno Dwi
Journal of Multidisciplinary Applied Natural Science Vol. 5 No. 2 (2025): Journal of Multidisciplinary Applied Natural Science
Publisher : Pandawa Institute

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47352/jmans.2774-3047.250

Abstract

Breast cancer is one of the deathliest cancer diseases for women, with high mortality cases. Since breast cancer cells overexpressed HER2 receptors, a computerized structure-based screening was conducted to identify potential HER2 inhibitors as an anti-breast cancer agent. This method can investigate the potency of proposed compounds as potential protein inhibitors. Researchers were interested in studying some synthetic macromolecules, i.e., allyl-modified calix[4]resorcinarenes, through in silico studies as HER2 inhibitors using molecular docking studies. Prospective protein-ligand complexes for HER2 inhibition were further investigated by molecular dynamics simulations for 200 ns on different binding pockets. The allyloxycalix[4]resorcinarene derivative (5A) was identified as the most potential HER2 inhibitor through a computational approach, including molecular docking studies and molecular dynamics simulations. The HER2-5A complex was relatively stable during the 200 ns molecular dynamics run. In addition, the hydrogen bonds formed between blind docking and molecular dynamics simulations are almost unchanged for the HER2-5A complex. The HER2-5A formed with two crucial amino acid residues, i.e., Asp845 and Asn850. Moreover, the data of the molecular dynamics simulations of compounds 5A and 2A demonstrate the stability of both complexes in different binding sites of HER2. These computational results are preliminary data for further synthesis and in vitro evaluation.
Antiplasmodial and Metabolite Profiling of Hyrtios sp. Sponge Extract from Southeast Sulawesi Marine Using LC-HRMS, Molecular Docking, Pharmacokinetic, Drug-likeness, Toxicity, and Molecular Dynamics Simulation Pulung, Maria Ludya; Swasono, Respati Tri; Sholikhah, Eti Nurwening; Yogaswara, Radite; Primahana, Gian; Raharjo, Tri Joko
Journal of Multidisciplinary Applied Natural Science Vol. 5 No. 2 (2025): Journal of Multidisciplinary Applied Natural Science
Publisher : Pandawa Institute

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47352/jmans.2774-3047.259

Abstract

Hyrtios sponge is known to possess alkaloid compounds that may exhibit in vitro activity against Plasmodium falciparum. The aim of this study was therefore to isolate and characterise the antiplasmodial active compounds of Hyrtios sp. Sponges collected from the island of Podang-Podang, South Sulawesi, Indonesia. In addition, the LC-HRMS analysis was performed on the active fractions of methanol and ethyl acetate extract to evaluate their antiplasmodial activity. We also validated the in silico antiplasmodial activity of PfDHFR-TS with molecular docking, pharmacokinetics, drug likeness, toxicity, and molecular dynamics analysis. The molecular docking studies showed that the synthesized extremes would have high binding affinity to PfDHFR-TS, thus confirming their potential as powerful enzyme inhibitors. Moreover, the pharmacokinetic and drug-likeness calculations showed that all compounds met the requirements for sufficient resistance and bioavailability, indicating potential as therapeutic candidates. The results of the toxicity analysis indicated that the compounds had a relatively good safety profile, but some potential adverse reactions in the renal and cardiac vasculature could not be excluded. Molecular dynamics simulations confirmed that the complexes formed between the ligand and the target were stable, and the low RMSD value indicated that the active site interactions were also quite stable. These observations reinforce the notion that the extract from Hyrtios sp. not only shows remarkable antimalarial activity but also exhibits pharmacological properties of a prospective drug candidate, which encourages further work in the development of malaria combination therapy both in clinical assessment and comprehensive mechanism of action investigation.
Uji Toksisitas Akut Dermal Gel Antioksidan Topikal C-4-Hidroksi-3-Metoksifenilkaliks[4] Resorsinarena Secara In Vivo Pada Tikus Wistar Marlinda, Wade; Sholikhah, Eti Nurwening; Murini, Tri
JURNAL PENELITIAN PENDIDIKAN, PSIKOLOGI DAN KESEHATAN (J-P3K) Vol 6, No 2 (2025): J-P3K
Publisher : Yayasan Mata Pena Madani

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51849/j-p3k.v6i2.810

Abstract

Pemberian antioksidan topikal merupakan cara yang efektif untuk melindungi kerusakan kulit yang disebabkan oleh sinar ultraviolet. Senyawa C-4-hidroksi-3-metoksifenilkaliks[4]-resorcinarene telah diteliti aktivitas antioksidannya, tabir surya, dan penghambat enzim tirosinase secara in vitro sehingga berpotensi untuk dikembangkan sebagai antioksidan topikal, oleh karena itu perlu dilakukan uji toksisitas kulit akut terhadap gel antioksidan CHMFKR untuk mengetahui keamanannya. Uji toksisitas kulit akut ini dilakukan untuk mengetahui ada tidaknya gejala toksik atau mortalitas setelah pemaparan gel. Penelitian eksperimental semu ini menggunakan rancangan post-test only controlled group design. Enam ekor tikus Wistar dibagi menjadi 2 kelompok. Kelompok pertama menerima gel CHMFKR 12% dan kelompok kedua menerima basis gel sebagai kontrol. Tikus-tikus tersebut diamati berat badan, eritema, oedem, piloereksi, lakrimasi, hipersalivasi, kejang-kejang, dan diare selama 14 hari. Hasil pengamatan klinis pada kelompok perlakuan (gel CHMFKR 12%) dan kontrol (basis gel) selama 14 hari menunjukkan bahwa tidak terdapat tanda dan gejala toksisitas, serta tidak terdapat kematian. Gel senyawa CHMFKR tidak menyebabkan toksik atau kematian, dengan nilai LD50 200 mg/kg.
Anticancer and Antimalarial Assays of Xanthone-Fatty Acid Hybrids: Integrative In Vitro and In Silico Evaluation Kurniawan, Yehezkiel Steven; Harizal, Harizal; Yudha, Ervan; Gurning, Kasta; Pranowo, Harno Dwi; Sholikhah, Eti Nurwening; Jumina, Jumina
Indonesian Journal of Chemistry Vol 25, No 4 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.106816

Abstract

Cancer and malaria are two fatal diseases found in Indonesia over the past several years. Therefore, researchers are trying their best to find new anticancer and antimalarial agents. In the present work, we evaluated five xanthone-fatty acid hybrids, i.e., xanthyl laurate (XL), xanthyl myristate (XM), xanthyl palmitate (XP), xanthyl stearate (XS), and xanthyl oleate (XO), as novel anticancer and antimalarial agents. The cytotoxicity assay towards NIH3T3 reveals that xanthone-fatty acid hybrids showed a selectivity index up to 282.08, demonstrating their non-toxic profile. The MTT assay found that XO yielded stronger breast anticancer activity than doxorubicin as the positive control. All xanthone-fatty acid hybrids exhibited moderate antimalarial activity with IC50 values of 24.24–87.57 µM, lower than that of chloroquine diphosphate as the positive control (4.26 µM). As the best anticancer agent for breast cancer, the mode of action of XO was further studied by computational studies. The molecular docking results showed the binding energy against the HER2 protein was −45.73 kJ/mol through a hydrogen bond with Lys753. This hydrogen bond remained stable until the end of the molecular dynamics simulations for 100 ns. These findings highlight the potential application of XO as a new drug candidate for breast cancer treatment.
Acute irritation of tetracyclic c-4-hydroxyphenylcalics [4] pyrogalolarene on skin of albino rabbits Aditya Nugraha; Dwi Aris Agung Nugrahaningsih; Rul Afiyah Syarif; Mia Munawaroh Yuniyanti; Ikhsan Nur Salim; Ratna Sari; Jumina; Eti Nurwening Sholikhah
Indonesian Journal of Pharmacology and Therapy Vol 1 No 1 (2020)
Publisher : Faculty of Medicine, Public Health, and Nursing Universitas Gadjah Mada and Indonesian Pharmacologist Association or Ikatan Farmakologi Indonesia (IKAFARI)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijpther.480

Abstract

C-4-hydroxyphenylcalix[4] pyrogalolarene (Pg4OH) is a synthetic chemical compound that shows strong antioxidant activity. It is potential to be developed as UV skin protector. For topical admission, an acute skin irritation test is being prerequisite to be fulfill. This study was conducted to investigate the irritation effect of Pg4OH on the skin. In vivo study by quasi experiment with posttest only design was carried out by employing 3 adult male albino rabbits. The back hair was shaved at 24 h before the treatment. The Pg4OH was smeared on the bare shaved-skin and left naturally within 4 h. The observation began at 24, 48 and 72 h after exposure. The erythema and edema scores were measured. Calculation by using primary irritation index (PII) was applied. Calculation was categorized with globally harmonized system (GHS) and international organization for standardization (ISO) parameters. As a result, among three rabbits, only one animal shown erythema and edema with very small size (score: 1), on 3 sites, at 72 h. Both the control site and the sample sites gained same score. Two other rabbits were obtained 0 value at each observation location. According to the PII, the observed data was obtained score 0.0093 (very light or negligible). It can be concluded that the tetracyclic compound of Pg4OH does not irritate the skin.
Cytotoxicity of ((E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one)) on HeLa cell line Adisty Ridha Damasuri; Eti Nurwening Sholikhah; Mustofa
Indonesian Journal of Pharmacology and Therapy Vol 1 No 2 (2020)
Publisher : Faculty of Medicine, Public Health, and Nursing Universitas Gadjah Mada and Indonesian Pharmacologist Association or Ikatan Farmakologi Indonesia (IKAFARI)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijpther.606

Abstract

In our previous study, some amino chalcone derivatives have been synthesized and evaluated their cytotoxicity against breast cancer cell line T47D. Among 11 amino chalcone derivatives, ((E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one)) exhibited the most active compound.This study aimed to investigate cytotoxic activity of the ((E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one)) against cervical cell line (HeLa). The cytotoxic activitywas determined using the MTT colorimetric assay. Cisplatin was used as positive control. From this MTT method, inhibitory concentration 50% (IC50) values were determined by probit analysis based on the relationship between log concentrations versus the percentage of cells growth inhibition.The results showed that the IC50 of ((E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one)) and cisplatinwere 22.75 ± 19.13 μg/mL and 14.96±1.08 μg/mL, respectively. In conclusion, the ((E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one)) has moderate cytotoxic activity against HeLa cell line based on National Cancer Institute (NCI) criteria.
Antimicrobial activity of Pycnarrhena cauliflora (Miers.) Diels. methanol extract Eti Nurwening Sholikhah; Maulina Diah; Mustofa; Masriani; Susi Iravati; Samekto Wibowo
Indonesian Journal of Pharmacology and Therapy Vol 2 No 2 (2021)
Publisher : Faculty of Medicine, Public Health, and Nursing Universitas Gadjah Mada and Indonesian Pharmacologist Association or Ikatan Farmakologi Indonesia (IKAFARI)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijpther.1656

Abstract

Pycnarrhena cauliflora (Miers.) Diels., local name sengkubak, is one of indigenous plants from West Kalimantan that has been used as natural flavor. Pycnorrhena cauliflora is one of species of Menispermaceae family which is rich in bisbenzylisoquinoline alkaloids. This alkaloids are known to have various biological activities including antiprotozoal, antiplasmodial, antifungal and antibacterial activities. This study aimed to investigate antimicrobial activity of the P. cauliflora (Miers.) Diels. methanolic extracts against gram-positive and gram-negative bacteria. The methanolic extract of P. cauliflora (Miers.) Diels., root, leaf and stem were prepared by maceration. The disk-diffusion method was then used to determine the antimicrobial activity of the extracts against Streptococcus pyogenes, S. mutants, Staphylococcus aureus, S. epidermidis, Salmonella typhi, Shigella flexneri, Pseudomonas aeruginosa and Escherichia coli after 18-24 h incubation at 37 oC. Amoxicillin was used as positive control for gram-positive bacteria and ciprofloxacin was used as gram-negative bacteria. The inhibition zones were then measured in mm. Analysis were conducted in duplicates. The results showed in general the methanolic extracts of P. cauliflora (Miers.) Diels. root (inhibition zone diameter= 10-23 mm) were more active than that leaf (0-15 mm) and stem (0-17 mm) extracts against gram-positive bacteria. The zone inhibition diameter of amoxicillin as positive control was 8-42 mm. In addition, the methanolic extracts of P. cauliflora (Miers.) Diels. root (12-17 mm) were also more active than that leaf (0-12 mm) and stem (0-12 mm) extracts against gram-negative bacteria. The zone inhibition diameter of ciprofloxacin as positive control was 33-36 mm. In conclusion, the methanolic extract of P. caulifloria (Miers.) Diels. root is the most extract active against both gram-positive and gram-negative bacteria. Further study will be focused to isolate active compounds in the methanolic extract of the root.
Addressing Disparities in Clean and Healthy Living Behaviors through Targeted Health Education in a Rural Community Widodo, Irianiwati; Rinonce, Hanggoro Tri; Asysyifa, Azzahra; Syarifa, Cut Alima; Sabila, Aflifia Birruni; Nurrahma, Bira Arumndari; Farmawati, Arta; Sari, Dwi Cahyani Ratna; Nugrahaningsih, Dwi Aris Agung; Jaya, Sudi Indra; Sholikhah, Eti Nurwening; Rizal, Dicky Moch; Susilowati, Rina; Nuryastuti, Titik; Murhandarwati, E. Elsa Herdiana; Triyono, Teguh; Ratnaningsih, Tri
Engagement: Jurnal Pengabdian Kepada Masyarakat Vol. 10 No. 1 (2026): February 2026
Publisher : Asosiasi Dosen Pengembang Masyarajat (ADPEMAS) Forum Komunikasi Dosen Peneliti

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29062/engagement.v10i1.2043

Abstract

Background: This study addresses the public health issue of community hygiene and wellness by focusing on the Clean and Healthy Lifestyle Behavior (CHLB) as a key parameter. The subject of the assessment is the community of Sompok Hamlet, Bantul, with the purpose of evaluating the implementation of CHLB within households to understand areas of strength and needed improvement. Purpose of the Study: The purpose is to assess the level of CHLB implementation in Sompok Hamlet. The objective is to measure household compliance across various CHLB indicators and identify specific behavioral gaps that require targeted intervention. Methods: The study employed a cross-sectional survey design conducted in 2023. Data were collected from 202 households across seven neighborhood units (RT) using a structured questionnaire to evaluate compliance with standard CHLB indicators. Results: The results showed that 68.3% of households met the criteria for independent healthy communities. High compliance was observed in indicators like access to clean water, sanitation, exclusive breastfeeding, and toddler weighing. However, significant gaps were identified in physical activity (71.3% low compliance) and indoor smoking practices (64% low compliance). Practices related to fruit/vegetable consumption, handwashing, and larva elimination showed varied results. The findings highlight the need for focused educational programs to address these specific behavioral deficiencies to promote sustainable community health.
Design and In Silico Modeling of Heterocyclic-based Xanthone Derivatives as Potential Anticancer Agents Through Tyrosine Kinase Inhibition Kurniawan, Yehezkiel Steven; Yudha, Ervan; Fatmasari, Nela; Yogaswara, Radite; Pranowo, Harno Dwi; Sholikhah, Eti Nurwening; Jumina, Jumina
Makara Journal of Science Vol. 30, No. 1
Publisher : UI Scholars Hub

Show Abstract | Download Original | Original Source | Check in Google Scholar

Abstract

Cancer is one of the deadliest diseases nowadays, and tyrosine kinase receptors play crucial roles in cancer cell survival, differentiation, proliferation, and migration. This study designed and developed a new inhibitor from heterocyclic-based xanthone derivatives to target two tyrosine kinase receptors, epidermal growth factor receptor (EGFR) and platelet-derived growth factor receptor (PDGFR), through in silico screening. Eighteen heterocyclic-based xanthones were evaluated through molecular docking for both receptors. All heterocyclic-based xanthones gave the root mean square deviation (RMSD) value lower than 2.00 Å. Xanthone with isobenzothiazole substituent (iBzThio) was found as the most potent inhibitor with binding energies of -10.60 and -12.90 kcal/mol against EGFR and PDGFR, respectively. Further investigation has been performed through molecular dynamics (MD) simulation for 100 ns. From the results of MD simulations, i.e., RMSD, root mean square fluctuation, radius of gyration, solvent accessible surface area, hydrogen bonds, and binding energy parameters, as well as secondary structure fraction, dictionary of protein secondary structure, and Ramachandran plot, iBzThio demonstrated good stability to interact with the active site of both receptors. The binding energies of IBzThio against EGFR and PDGFR receptors were -12.58 and -12.61 kcal/mol after the MD simulations, indicating its potential application as an effective tyrosine kinase inhibitor.
Co-Authors Achmad Djunaidi Adisty Ridha Damasuri Adisty Ridha Damasuri ADITYA NUGRAHA Aditya Nugraha Aflifia Birruni Sabila Agus Dwi Ananto, Agus Anak Agung Ayu Niti Wedayani Anak Agung Ngurah Nata Baskara Andi Hairil Alimuddin Arta Farmawati Asysyifa, Azzahra Bayu Putra Chairil Anwar Chairil Anwar Danang Setia Budi Demianus Tafor Demianus Tafor Dian Permata Sari Dicky Moch Rizal Dicky Moch Rizal Dwi Aris Agung Nugrahaningsih Dwi Cahyani Ratna Sari E. Elsa Herdiana Murhandarwati Ema Damayanti Erna Kristin Erwin Astha Triyono Faris Hermawan Fatimi, Hana Anisa Fatmasari, Nela Fitria, Anggit Gandes Retno Rahayu Hanggoro Tri Rinonce Harizal Harizal Harno Dwi Pranowo Harno Dwi Pranowo Harno Dwi Pranowo Hera Nirwati Iin Narwanti Ikhsan Nur Salim Ikhsan Nur Salim Iqmal Tahir JAKA WIDADA Jaya, Sudi Indra Jeffry Julianus Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Kasta Gurning Kurniawan, Yehezkiel Steven Laela Hayu Nurani Mae Sri Hartati Wahyuningsih Mahardika Agus Widjayanti Mahardika Agus Wijayanti Mahardika Agus Wijayanti Mahardika Agus Wijayanti Mahardika Agus Wijayanti Marlinda, Wade Masriani . Maulina Diah Maulina Diah Maya Dian Rakhmawatie Mega Pandu Arfiyanti Mia Munawaroh Yuniyanti Muhammad Idham Darussalam Mardjan Muhammad Kusumawan Herliansyah Muhammad Yusron Maulana El-Yunusi Mujur Mujur Mustafa Mustafa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Mustofa Muthia Rahayu Iresha Muthia Rahayu Iresha Nendrowati Nendrowati Ngatidjan Ngatidjan Nurrahma, Bira Arumndari Nursofia, Baiq Ike Pramana Pananja Putra Pratiwi, Woro Rukmi Pratiwi, Woro Rukmi Priastomo, Yoga Primahana, Gian Priska Ernestina Tenda Priyangga, Krisfian Tata Aneka Pulung, Maria Ludya RATNA SARI Ratna Sari Respati Tri Swasono Rina Susilowati Rul Afiyah Syarif Ruslin Hadanu Sabirin Mastjeh Sabirin Mastjeh Sabirin Mastjeh Sabirin Mastjeh Sabirin Matsjeh Sabirin Matsjeh Samekto Wibowo Samekto Wibowo Setyo Purwono Sitarina Widyarini Susi Iravati Susi Iravati Syarifa, Cut Alima Teguh Triyono Titik Nuryastuti Tri Joko Raharjo Tri Murini Tri Ratnaningsih Wahyu Nitari Wahyu Widyaningsih Wibowo, Susalit Setya Widodo, Irianiwati Widya Wasityastuti Winarto Haryadi Wiyono, Tri Yacobus Christian Prasetyo Yogaswara, Radite Yudha, Ervan Yuniyanti, Mia Munawaroh Zulfa Faiqoh