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Combination of three species of Zingiberaceae prevents doxorubicin-induced hepatotoxicity Heny Ekowati; Sarmoko Sarmoko; Retno Widiastuti
Universa Medicina Vol. 32 No. 1 (2013)
Publisher : Faculty of Medicine, Universitas Trisakti

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18051/UnivMed.2013.v32.11 - 19

Abstract

BACKGROUND Doxorubicin as an anticancer drug has hepatotoxic side effects. Curcuma xanthorrhiza, Curcuma longa and Zingiber officinale are commonly used as herbals in Indonesia and around the world. Several compounds in these plants have antioxidant activities and are known to exhibit protection against doxorubicin-induced toxicities. This study aimed to observe the hepatoprotective effect of a combination of C. xanthorriza, C. longa, and Z. officinale extract on doxorubicin-induced hepatotoxicity in rats. METHODS A total of 28 Wistar male rats were divided into four groups: 1) control group (0.9% NaCl); 2) doxorubicin 5 mg/kg intraperitoneally (ip) four times in 14 days (days 1, 5, 9, 13); 3) doxorubicin + combination of C. xanthorriza, C. longa, and Z. officinale (temulawak, kunyit, and jahe merah, designated as Tekuja) 250 mg/kg/day orally for 14 days; and 4) doxorubicin + Tekuja extract 500 mg/kg/day orally for 14 days. Measurements of parameters based on liver histopathology and the parameters of serum alanine amino transferase (ALT) and aspartate amino tranferase (AST). RESULTS Doxorubicin caused significant elevation in serum ALT and AST enzymes after 14 days of treatment. Rats treated with doxorubicin + Tekuja extract 250 mg/kg/ day showed no histological changes, but had decreased levels of ALT and AST. CONCLUSION This study indicates that the combination of C. xanthorriza, C. longa, and Z. officinale has a protective effect in rats against liver damage induced by doxorubicin
Mengungkap Aktivitas Antikanker Senyawa Dihidrokaempferida secara In Silico Arif Fadlan; Tri Warsito; Sarmoko Sarmoko
Jambura Journal of Chemistry Vol 4, No 1 (2022): February
Publisher : Universitas Negeri Gorontalo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.34312/jambchem.v4i1.11512

Abstract

This study aims to perform molecular docking of dihydrokaempferide and to predict the ADMET profiles of dihydrokaempferide. The molecular docking was conducted on DAPK1 macromolecules (5AUX and 5AV3) by preparation of dihydrokaempferide, preparation of DAPK1, docking simulation of dihydrokaempferide, visualization of docking results, and ADMET analysis. The molecular docking of dihydrokaempferide produced a binding affinity value of -6.9 kcal/mol for 5AUX and of -5.7 kcal/mol for 5AV3. The ADMET prediction indicated dihydrokaempferide had good physicochemical properties according to the criteria of absorption, distribution, metabolism, excretion, and toxicity.
Molecular Docking of 6-shogaol and Curcumin on DNMT1 and LSD1 As Potential Agents for Thalassemia Treatment Joko Setyono; Sekar Cahyo Nurani; Muhamad Salman Fareza; Arif Fadlan; Sarmoko Sarmoko
JKPK (Jurnal Kimia dan Pendidikan Kimia) Vol 6, No 3 (2021): JKPK (Jurnal Kimia dan Pendidikan Kimia)
Publisher : Program Studi Pendidikan Kimia FKIP Universitas Sebelas Maret

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/jkpk.v6i3.54346

Abstract

Beta-thalassemia therapy is developed by increasing γ-globin production which binds to α-globin to form haemoglobin fetal (HbF). Meanwhile, DNA methyltransferase 1 (DNMT1) and lysine specific demethylase 1 (LSD1) play an important role in silencing the HbF gene by inhibiting the production of HbF and inducing haemoglobin subunit alpha (HbA) expression. 6-Shogaol and curcumin induce HbF by inhibiting signal transducer and activator of transcription 3 (STAT3) expression. Therefore, this study predicts the interaction between 6-shogaol and curcumin on DNMT1 and LSD1. The protein structure of DNMT1 (3SWR) and LSD1 (6KGP) was prepared by removing the water molecules, while the validation step was performed by separating protein from native ligands (sinefungin for 3SWR and flavine-adenine dinucleotide (FAD) for 6KGP) in new protein data bank files. Furthermore, the protein was docked with a native ligand to obtain grid box coordinates, while the root means standard deviation (RMSD) was calculated from the conformation results of the validation process. 6-Shogaol and curcumin were docked with coordinates of the validation results, and the best conformation was visualized with Discovery Studio. The validation step results in the RMSD value of 0.861Å and 1.410Å for DNMT1 and LSD1, respectively. The binding affinity of 6-shogaol and curcumin on DNMT1 was -6.5 kcal/mol and -8.0 kcal/mol, respectively. Furthermore, the binding affinity of 6-shogaol and curcumin on LSD1 was -8.2 kcal/mol and -10.1 kcal/mol, respectively. Amino acid residues found in DNMT1 interaction include Gly1147, Phe1145, Glu1168, Asn1278, Pro1225, Leu1151, Val1580, Ala1579, Asn1578, Trp1170, and Ala1579; meanwhile, Val288, Ser289, Arg310, Gly285, Thr624, Leu659, Lys661, Arg316, Leu625, Tyr761, Trp751, Gly330, and Leu659 were found in LSD1. This study showed that curcumin has the potential to inhibit DNMT1 as well as LSD1 proven by lower bonding energy and stronger bond types compared to sinefungin and FAD native ligands and other DNMT1 and LSD1 inhibitors.
Studi In Silico Potensi Antikanker Senyawa Kaempferida Arif Fadlan; Tri Warsito; Sarmoko Sarmoko
ALCHEMY:Journal of Chemistry Vol 10, No 1 (2022): ALCHEMY: Journal of Chemistry
Publisher : Department of Chemistry, Faculty of Science and Technology UIN Maulana Malik Ibrahim Malan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18860/al.v10i1.13317

Abstract

 Active compounds as therapeutic agents are mainly found in natural products. Kaempferia pandurata from Kaempferia Genus has been used for the treatment of diseases. K. pandurata contains kaempferol (KMP) which exhibits various biological activities such as anticancer. KMP correlates to death-associated protein kinase 1 (DAPK1) relates to tumor suppression and apoptotic and autophagy mediation. This research aims to evaluate the anticancer potential of kaempferide (a methylated KMP at the C4’ position) against DAPK1 in silico. The research was performed through molecular docking to DAPK1 (5AUX and 5AV3), anticancer activity prediction, drug-likeness analysis, and ADMET (absorption, distribution, metabolism, excretion, and toxicology) evaluation. The binding affinity of kaempferide was -8.0 kcal/mol for 5AUX and 5AV3, respectively. The highest anticancer activity of kaempferide was shown against the prostate carcinoma cell line CWR22R. Kaempferide showed no violation to Lipinski-Veber rule and had good ADMET profile. Keywords: in silico, anticancer, kaempferide  Senyawa aktif dengan potensi terapeutik banyak ditemukan dalam bahan alam. Kaempferia pandurata dari genus Kaempferia telah digunakan dalam pengobatan berbagai penyakit. K. pandurata mengandung kaempferol (KMP) dengan aktivitas biologis beragam, salah satunya adalah antikanker. KMP juga dapat berikatan dengan death-associated protein kinase 1 (DAPK1) yang berhubungan dengan penekanan tumor dan mediasi apoptosis dan autofagi. Penelitian ini mempelajari potensi antikanker kaempferida (KMP yang termetilasi pada posisi C4’) terhadap DAPK1 secara in silico. Penelitian dilakukan melalui penambatan molekular terhadap DAPK1 (5AUX dan 5AV3), perkiraan aktivitas antikanker, analisis drug-likeness, dan prediksi ADMET (absorption, distribution, metabolism, excretion, and toxicology). Afinitas ikatan kaempferida masing-masing sebesar -8,0 kkal/mol untuk 5AUX dan 5AV3. Aktivitas antikanker tertinggi kaempferida ditunjukkan terhadap cell line karsinoma prostat CWR22R. Kaempferida tidak melanggar aturan Lipinski-Veber sesuai analisis drug-likeness dan memiliki profil ADMET yang cukup baik. Kata kunci: in silico, antikanker, kaempferida 
Evaluasi Parameter Fisikokimia, Farmakokinetika, dan Farmakodinamika Senyawa Fisetin Dalam Desain Obat Arif Fadlan; Tri Warsito; Sarmoko Sarmoko
Akta Kimia Indonesia Vol 7, No 1 (2022)
Publisher : LPPM, Institut Teknologi Sepuluh Nopember

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.12962/j25493736.v7i1.10879

Abstract

Fisetin is a flavonoid with flavonol framework found in various fruits and vegetables such as strawberries, apples, persimmons, lotus root, grapes, onions, kiwi, peaches, and others. Fisetin with four hydroxyl and one oxo groups shows biological activities such as antioxidant, anti-inflammatory, antimicrobial, antidiabetic, and anticancer. Thus, fisetin becomes an interesting target for finding alternative therapeutic agents. However, more than 50% of drug candidates fail due to poor absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis. This research studied the physicochemical, pharmacokinetic, and pharmacodynamic parameters of fisetin to avoid those problems by using PreADMET, SwissADME, dan Molinspiration. The results revealed good physicochemical parameters for fisetin with potential to be used as oral or transdermal. Fisetin was known to be quite easy synthesized, crossed the BBB, non-toxic, not carcinogenic in mice, and had a medium cardiotoxicity. Furthermore, fisetin inhibited kinases, nuclear receptor ligands, and enzymes. It was moderate as GPCR ligands and ion channel modulators.
Pengetahuan dan Persepsi Apoteker Terhadap Penggunaan Obat Off-Label di Indonesia: Pharmacist's Knowledge and Perception of Off-Label Drugs Use in Indonesia Dwi Aulia Ramdini; Sarmoko; Ihsanti Dwi Rahayu; Muhammad Iqbal; Ramadhan Triyandi; Dika Pramita Destiani
Indonesian Journal of Pharmacy and Natural Product Vol. 6 No. 01 (2023): Indonesian Journal of Pharmacy and Natural Product
Publisher : Universitas Ngudi Waluyo

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (487.807 KB) | DOI: 10.35473/ijpnp.v6i01.2219

Abstract

Off-label drugs are generally used in clinical practice but require close monitoring by health workers, especially pharmacists. Pharmacists need knowledge regarding the potential benefits and dangers of off-label medications to ensure the safety of drug users. This study aims to determine pharmacists' knowledge and perceptions of using off-label drugs in Indonesia. The study design used in this study was a cross-sectional study with an analytic observational approach using off-label drug-related questionnaires conducted online. Results of this study a total of 174 pharmacist respondents filled out a complete questionnaire with the result that 86% of the respondents had good knowledge regarding off-label drugs, and the rest were classified as poor (14%). Pharmacist respondents said they focused on safety (96.55%), efficacy (86.55%), medication history (72.99%), cost efficiency (61.49%), and also the target population (32.76%) in the use of off-label drugs. Based on factor analysis, the experience of preparing off-label drugs was significantly related to respondents' knowledge (p=0.041). In contrast, the factors of gender (p=0.777), age (p=0.677), last education (p=0.801), and years of service (p=0.541) there is no significant relationship. Conclusions of this study is The majority of pharmacist respondents in this study had good knowledge regarding the use of off-label drugs and agreed that pharmacists play an important role in monitoring the side effects of off-label use. In addition, almost all pharmacist respondents perceived that drug safety was the dominant factor for the consideration of off-label drug use. ABSTRAK Obat off-label umumnya digunakan dalam praktik klinis, namun dalam penggunaannya diperlukan pemantauan yang ketat oleh tenaga kesehatan, khususnya oleh apoteker. Pengetahuan terkait manfaat dan bahaya obat off-label diperlukan apoteker dalam menjamin keamanan dan keselamatan penggunaan obat. Penelitian ini bertujuan untuk mengetahui pengetahuan dan persepsi apoteker terhadap penggunaan obat off-label di Indonesia. Metode penelitian yang digunakan adalah studi cross-sectional dengan pendekatan observasional analitik melalui penggunaan kuesioner terkait obat off-label yang dilakukan secara online. Hasil penelitian sebanyak 174 responden apoteker terdapat 86% responden memiliki pengetahuan yang baik terkait obat off-label, dan sebagian lainnya tergolong kurang baik (14%). Responden apoteker menyatakan memiliki fokus terhadap faktor keamanan (96,55%), kemanjuran (86,55%), riwayat pengobatan (72,99%), efisiensi biaya (61,49%), dan target populasi (32,76%) dalam penggunaan obat off-label. Berdasarkan analisis faktor, pengalaman menyiapkan obat off-label berhubungan signifikan terhadap pengetahuan responden (p=0,041), sedangkan faktor jenis kelamin (p=0,777), umur (p=0,677), pendidikan terakhir (p=0,801), dan masa kerja (p=0,541) tidak terdapat hubungan signifikan. Kesimpulan penelitian ini adalah mayoritas responden apoteker memiliki pengetahuan yang baik terkait penggunaan obat off-label dan menyetujui bahwa apoteker berperan penting dalam monitoring efek samping penggunaan off label. Selain itu, hampir keseluruhan responden apoteker memiliki persepsi dimana faktor pertimbangan penggunaan obat off-label yang dominan adalah faktor terkait keamanan obat.
Bioinformatic Study of the Active Compound of Morusin in Mulberry (Morus alba) against Breast Cancer Sarmoko Sarmoko; Afif Hariawan Pratama; Nur Amalia Choironi; Muhammad Salman Fareza
Indonesian Journal of Cancer Chemoprevention Vol 14, No 1 (2023)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev14iss1pp60-71

Abstract

Morusin, an active constituent of the mulberry plant (Morus alba), exhibits inhibitory effects on several types of cancer cells in vitro, including breast cancer. This study aimed to identify potential target proteins of morusin, investigate the binding energy, and explore type of interactions between morusin and the target protein. Morusin target was searched using the PubMed, STITCH, STRING, and Cytoscape databases. Subsequently, the obtained morusin target protein data underwent processing using Autodock Tools and DS BIOVIA to facilate the simulation of molecular docking between morusin and the target protein. The study identified EGFR, SRC, and MAPK1 as potential targets for morusin. Docking simulations revealed that both EGFR and SRC represent viable targets for morusin, as their binding energies were lower than those of the native ligand and lapatinib. Specifically, the bond energies at EGFR were -9.6, -7.5, and -9.2 kcal/mol for morusin, the native ligand, and lapatinib, respectively. Similarly, at SRC, the corresponding bond energies were -8.2, -6.4, and -5.3 kcal/mol. Morusin demonstrated binding interactions with Leu694, Val702, Leu820, Ala719, Leu768, and Lys721 at the active site of EGFR, and with Lys295 and Gly344 at the binding active sites of SRC. Consequently, morusin has the potential to suppress cancer cell growth by targeting EGFR and SRC.Keywords: cancer cells, EGFR and SRC as targets, molecular docking, morusin, mulberry plant.
Molecular Docking Analysis of Acanthus ilicifolius Compounds Toward CUL4B-DDB1-AhR-ERα Complex Protein for Antiosteoporosis Discovery Dhiani, Binar Asrining; Sarmoko, Sarmoko; Wahyuningrum, Retno; Yulianto, Akbar
Pharmaceutical Sciences and Research Vol. 10, No. 3
Publisher : UI Scholars Hub

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

Abstract

Osteoporosis represents a significant global public health issue, particularly among the aging population. Its incidence reaches 18.3% of the total population, with the highest prevalence observed in elderly postmenopausal women. A key factor in osteoporosis is the decreased expression level of estrogen receptor alpha (ERα), attributed to its degradation by the ubiquitin ligase protein complex Cullin4B (CUL4B), DNA damage binding 1 (DDB1), and aryl hydrocarbon receptor (AhR), collectively known as CUL4BAhR. Acanthus ilicifolius L contains compounds exhibiting antiosteoporosis activity, primarily by inhibiting osteoclastogenesis via RANKL. However, no reports exist of antiosteoporosis agents that act by inhibiting ERα degradation via CUL4BAhR. This study employed an in silico approach to predict active compounds from A. ilicifolius that could inhibit ERα degradation via CUL4BAhR, potentially developing them into antiosteoporosis agents. We utilized the 3D structures of proteins CUL4B-DDB1 (PDB ID:4A0L), AhR (5NJ8), and ERα (1A52) in various molecular docking tools, including ClusPro2.0, PyRx0.8, PyMol, PLIP, and SWISS-MODEL for QMEAN and structure assessment analysis. The ligands tested were acancifoliuside, acanthaminoside, acteoside, isoacteoside, (-)-lyoniresinol, (-)-lyioniresinol-3a-O-β-glucopyranoside, and estradiol. Acteoside displayed lower binding affinity energy (-9.7 kcal/mol) compared to estradiol (-8.9 kcal/mol) and was the lowest among all compounds. Acteoside was found to weaken the interaction between CUL4B-Rbx1 and CUL4B-DDB1 but not between AhR and ERα. Consequently, acteoside could be a viable candidate as an antiosteoporosis agent by inhibiting ERα degradation via the CUL4B-DDB1-AhR pathway. Further biochemical, in vitro, and in vivo studies are required to strengthen this evidence.
The detection of SARS-CoV-2 using reverse transcription loop-mediated isothermal amplification (RT-LAMP) in developing country Wibowo, Muhammad Rizky; Harfiani, Erna; Sarmoko, Sarmoko; Nugraha, Yudhi
Pharmacy Reports Vol. 1 No. 1 (2021): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (116.235 KB) | DOI: 10.51511/pr.9

Abstract

The severe acute respiratory syndrome coronavirus (SARS-CoV-2) has infected the human system resulting in Covid-19, and has spread rapidly worldwide. Therefore, a fast, simple, cost-effective, and accurate detecting tool is required. The standard diagnostic tool of the World Health Organization is the reverse transcription-polymerase chain reaction (RT-PCR). This method detects the presence of viral genetic material in the human body with accurate results. However, it has several limitations in terms of equipment, personnel, duration, and cost. Therefore, a fast, simple, and sensitive alternative detection, is required, one of which is the reverse transcription loop-mediated isothermal amplification (RT-LAMP) that functions under isothermal conditions. This method is battery-driven, hence, easy to move closer to the patient. Conclusively, the RT-LAMP test for SARS CoV-2 diagnosis produces comparable sensitivity to a standard RT-PCR and is more suitable for resource-poor settings, such as rural areas of developing countries.
Factors influencing adherence to antituberculosis treatment: A cross-sectional study at Sendang Agung Health Center, Central Lampung Nabila, Sofia Zahra; Windari, Nurul Irna; Sarmoko
Pharmacy Reports Vol. 2 No. 3 (2022): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.65

Abstract

This study investigates factors influencing adherence to antituberculosis treatment among pulmonary tuberculosis patients at Sendang Agung Health Center. Using a cross-sectional approach and purposive sampling, data were collected from 53 patients treated between January and March 2023. The study employed validated questionnaires and statistical analyses, including Chi-Square and logistic regression tests. The results showed that 33 patients (62.3%) were compliant with using antituberculosis drugs, while 20 patients (37.7%) were not compliant. Results indicate that factors such as age, gender, education, and employment status do not significantly affect treatment adherence. However, knowledge and treatment duration were found to be significant determinants, with knowledge being the most dominant factor (p = 0.004, OR = 16.029). The findings suggest that enhancing patient education and support systems is crucial to improving adherence and treatment outcomes. Further efforts are needed to increase awareness and ensure effective utilization of available healthcare services.
Co-Authors . Anindyajati Abdul Karim, Dewi Damayanti Achmad Baihaqi Ulma Adam Hermawan Adinda Salsabila Aditya Fitriasari Aditya Fitriasari Afif Hariawan Pratama Agung Endro Nugroho Agustin, Lanita Alsadila, Kalista Anandar, Salsabila Fauziah Anindyajati Anindyajati Anjar Hermadi Saputro Aprilia, Vika arif ashari Asrada, Syahdan Bama Tangguh Galih Binar Asrining Dhiani Cahyadi, Dzaky Raihan Charisa Nabirawati Sitindaon Choironi, Nur Amalia Dika Pramita Destiani Dirga Dito Aditya Sasongko Dwi Aulia Ramdini Dyaningtyas D. P. Putri Dyaningtyas Dewi P. Putri Dyaningtyas Dewi Putri Pamungkas Edy Meiyanto Edy Meiyanto Endah Puspitasari Erna Harfiani Fadlan, Arif Fadlan, Arif Fareza, Muhamad Salman Farhan Fauzan Fauziyya, Riri Fazila, Safia Febrian, Dicky Rizky Fischellya, Dafi Hakim, Ahmad Zammi Autadan Hanif Nasiatul Baroroh HENDRI WASITO Heny Ekowati Hidayaturahmah, Rizky Ihsanti Dwi Rahayu Ingeswari, Aulya Vidiana Irna Windari, Nurul Joko Setyono Joko Setyono Khoirunnisa, Sudewi Mukaromah Khozin, Muhamad Nur Kireine Kosma Ramadhani Maharani, Putu Audi Mas Mardi Santoso Maulana Malik Meiyanto, Edy Muhamad Salman Fareza Muhammad Iqbal Muhammad Salman Fareza Muhammad Yogi Saputra Mustikaningtyas, Ika Nabila, Novrilia Atika Nabila, Sofia Zahra Nadiah, Syaadatun Nisa Yulianti Suprahman Nofriani, Annisa Novrilia Atika Nabila Nugraha, Yudhi Nugraheni, Zjahra Vianita Nur Adliani Nur Amalia Choironi Nur Ismiyati Nur Ismiyati Pamungkas P, Dyaningtyas Dewi Pane, Esteria Christina Pangestu, Maryo Adjie Purwanata, I Gede Raditya Putra, Okta Nama Rahayyu, Annisa Maulidia Ramadhan Triyandi Ratna Asmah Susidarti Refsya Azanti Putri Rehana, Rehana Reny Haryani, Reny Retno Wahyuningrum Retno Widiastuti Rifki Febriansah Rifki Febriansah Rispriandari, Aulia Ayu Rooswita, Putri Amelia Safei, Imam Samudra, Genta Hafied Naga Satriawan, Ahmad Bayu Sekar Cahyo Nurani Setiyabudi, Lulu Silvia Damayanti Siregar, Fajri Marindra Sukrasno Sukrasno Syahjoko Saputra, Iwan Tantri Liris Nareswari Tri Warsito Tri Warsito Tri Warsito Tria Putriani Triyadi Hendra Wijaya Tuti Sri Suhesti Vigo Atsil Nugraha Wenda Reka Pratama Wibowo, Muhammad Rizky Windari, Nurul Irna Winni Nur Auli Wisesa, Sindhu Yudhi Nugraha Yulianto, Akbar Zahra, Miralda Ziske Maritska Zusela, Titah