Claim Missing Document
Check
Articles

Found 36 Documents
Search

Bioinformatics and Molecular Docking Study of Amentoflavone and 3,8-Biapigenin as Inhibitors on Cervical Cancer Proteins Ningrum, Dhecella Winy Cintya; Kusumaningtyas, Triana Arum; Febriansah, Rifki; Juniananda, Melisa; Tasminatun, Sri; Krisridwany, Annisa
Indonesian Journal of Cancer Chemoprevention Vol 14, No 2 (2023)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev14iss2pp105-116

Abstract

Cervical cancer maintains its second-place ranking for Indonesia's highest number of cancer cases. In 2021, there were 36,633 cases of cervical cancer in Indonesia, with a rising death rate. Commonly, chemotherapy is used to treat cervical cancer and can improve the survival chances of patients, but these therapies imply increased toxicity. Biflavonoid group compounds like amentoflavone and 3,8-Biapigenin have the potential to act as anticancer agents by modulating multiple signaling pathways. This study aims to determine the cervical anticancer potential of amentoflavone and 3,8-Biapigenin based on in silico study. Prediction of anticancer activity in silico using Prediction of Activity Spectra for Active Substances (PASS) online, followed by target protein tracing using STITCH-STRING, then receptor analysis test using Ramachandran plot. A molecular docking test was conducted to determine the binding affinity of the compound with the receptor. Based on the online PASS, the compounds as thought to have low cervical anticancer potential if tested on a laboratory scale. STAT3, EP300, CYP1A1, and AKR1C1 proteins used in this study have met the requirements of a suitable receptor for molecular docking test. The best binding affinity was obtained at the interaction of amentoflavone and STAT3 with a better docking score (-9.3 kcal/mol) than doxorubicin (-7.1 kcal/mol). Overall, the results suggest biflavonoid compounds have the potential to be developed as a chemopreventive agent for cervical cancer.Keywords: bioinformatics, molecular docking, amentoflavone, 3,8-Biapigenin, cervical cancer protein.
Antioxidant Activity and Cytotoxic Potential of Parijoto (Medinilla speciosa (Reinw ex BL)) Fruit Fractions on HeLa Cell Line Winanta, Aji; Hanik, Linta Sabila; Febriansah, Rifki
Indonesian Journal of Cancer Chemoprevention Vol 12, No 2 (2021)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev12iss2pp74-82

Abstract

Parijoto (Medinilla speciosa (Reinw ex BL)) is one of the Indonesian indigenous plants widely used as traditional medicine. A previous study showed that ethanol and methanol extracts of Parijoto fruit could inhibit T47D breast cancer cells. This study explores the antioxidant and cytotoxic activities of Parijoto fruit extract and fractions on HeLa cell line. The fruits were extracted using ethanol 70% and fractionated by hexane and ethyl acetate. Furthermore, the fraction was analyzed for secondary phytochemical metabolite content using thin-layer chromatography and staining reagents. The antioxidant and cytotoxic activities were determined using the DPPH scavenging assay and the MTT assay, respectively. The ethanol extract and fraction contained flavonoid and tannin compounds. Ethanol extract, ethanol fraction, and ethyl acetate fraction of Parijoto fruit had an antioxidant activity with IC50 values of 77.3, 88.64, and 46.61 μg/mL, respectively. Ethyl acetate fraction showed the highest activity on HeLa cells with an IC50 value of 45.57 μg/mL compared to ethanol extract, ethanol fraction and n-hexane fraction with an IC50 value of 233.43, 700.75, and 534.30 μg/mL, respectively. Based on these results, the ethyl acetate fraction of Parijoto fruit had the potency to be explored further to elucidate their cytotoxicity mechanism in HeLa cells.Keywords: antioxidant activity, cytotoxicity, Medinilla speciosa, Parijoto fruit fractions.
Activity of Ethanol Fraction Melinjo (Gnetum Gnemon L.) Seed on Colonic Cancer (Widr) Cells as Co-Chemotherapy Agent Arifin, Nuha Haifa; Febriansah, Rifki; Octavia, Melany Ayu; Kenyori, Ivana Kinanti
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/indonesianjcanchemoprev14iss1pp49-59

Abstract

Cancer deaths increase every year, including in Indonesia. The low selectivity of chemotherapy agents and the resistance of cancer cells against chemotherapy agents is the main cause of chemotherapy treatment failure. It causes serious side effects in sufferers. Beside that, plants produce secondary metabolites which are being investigated for the anticancer activity that is used as new clinical drugs. Therefore we need research that uses plants as co-chemotherapy agents. Melinjo seeds (Gnetum gnemon L.) contain gnetin C has the potential to apoptosis WiDr colon cancer cells. The purpose of this study was to determine the potential of Ethanol Fraction Melinjo Seed (EFMS) as a co-chemotherapy agent for colon cancer. The sample was maceration using 70% ethanol and fractionated with ethanol. Phytochemical screening with thin layer chromatography (TLC)-Densitometry, antioxidant test used the DPPH, while the cytotoxic activity of WiDr colon cancer cells and their combination with 5-Fluorouracil chemotherapy agent using the 3-(4,-5-dimethylthiazo-2-yl)-2,5-diphenyltetrazolium bromide (MTT) Assay, and also in silico test used molecular docking between gnetin C on EFMS and IKK and COX-2 proteins with the 5-FU. The results showed that EFMS contains gnetin C based on Rf value, has weak antioxidant activity with IC50 1227 μg/mL, weak cytotoxic activity in WiDr colon cancer cells with IC50 681 μg/mL and has combined activity synergistic with 5-Fluorouracil. Molecular docking showed gnetin C strong binding affinity against IKK and COX-2 proteins with scores -12.2 kcal/mol and -9.6 kcal/mol. The result concludes that EFMS has the potential to inhibit the development of cancer cells, especially WiDr colon cancer cells.Keywords: Gnetum gnemon L., Colon Cancer, Cytotoxic, Molecular docking, WiDr.
Anti-Lung Cancer and Cell Migration Inhibition Properties of Ethyl Acetate Extract of Selaginella doederleinii Towards HTB-183 Cells through In Silico and In Vitro Approach Amaliyah, Alfiah; Kusumaningtyas, Triana Arum; Febriansah, Rifki
Indonesian Journal of Cancer Chemoprevention Vol 15, No 1 (2024)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev15iss1pp1-17

Abstract

Continuous research and development to obtain novel anti-lung cancer agents is essential, considering the high prevalence and mortality of the disease. The biflavonoid compounds of Selaginella doederleinii showed significant anticancer activities. This study aims to determine the cytotoxic and cell migration inhibition properties of ethyl acetate extract of Selaginella doederleinii (EAESD) against HTB-183 cells through in silico and in vitro methods. This study started with extraction and then identified biflavonoids in EAESD by HPLC. In vitro analysis was conducted through MTT Assay to observe the cytotoxic properties of EAESD and Wound Scratch Healing Assay to observe its cell migration inhibitory properties. In silico studies to obtain the potential anti-lung cancer compounds and their protein targets were conducted through bioinformatics, combining PASS analysis, Swiss Target Prediction, and STITCH. The obtained compounds and protein targets were analyzed in Molecular Docking to evaluate the binding affinities. The result showed that EAESD contained biflavonoid compounds, exhibited cytotoxic activity with an IC50 value of 190 μg/ml, and inhibited the migration rate of HTB-183 cells. Based on in silico analysis, the three biflavonoids with the highest potential of antilung cancer activity along with their target protein are robustaflavone 7,4-dimethyl ether with EGFR, heveaflavone with ESR1, and 7,4',7'',4'''-tetra-O-methyl-amentoflavonewith TNF. All compounds can bind to each protein target with the docking score -9.2 kcal/mol, -9.5 kcal/mol, and -6.5 kcal/mol, respectively. This study suggested preliminary data regarding the potential of Selaginella doederleinii to inhibit the proliferation and migration of the HTB-183 cell line of lung cancer.Keywords: Selaginella doederleinii, HTB-183, cytotoxicity, cell migration, in silico analysis.
In Silico and In Vitro Study Selaginella doederleinii Herb Extract as An Antineoplastic on MCF-7 Cells and Formulation Development of Nano Effervescent Granule Anggraini, Chaessy Yori; Kusumaningtyas, Triana Arum; Juniananda, Melisa; Ningrum, Dhecella Winy Cintya; Febriansah, Rifki; Hermawansyah, Adi
Indonesian Journal of Cancer Chemoprevention Vol 14, No 2 (2023)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev14iss2pp128-138

Abstract

Breast cancer, the leading cause of cancer-related deaths in women with 685,000 deaths in 2020. Exploring natural compounds with minimal side effects has emerged as a potential treatment. However, utilizing natural substances faces challenges, such as poor bioavailability, requiring technologies like nanotechnology to enhance absorption. This study focuses on evaluating Ethanol Extract of Selaginella doederleinii (EESD) as an anticancer against MCF-7, both in silico, in vitro methode and develop a formulation of EESD nanoparticle effervescent granules. This study commenced with extraction, Gas Chromatography-Mass Spectrometry (GC-MS) identification, in silico studies, namely bioinformatics and molecular docking, 3-(4,-5-dimethylthiazo-2-yl)-2,5-diphenyltetrazolium bromide (MTT) Assay tests on MCF-7, and the formulation of nanoparticle preparations. EESD was extracted using the maceration method, resulting in an extract weighing 103.5 grams with a 6.9% yield. GC-MS identified three major compounds—cyclopentadecanoic, 2-hydroxy; hexadecanoic acid; and 9-octadecanoid, methyl ester. Bioinformatics revealed interactions with specific protein targets, and molecular docking indicated hexadecanoic acid's superior binding to TP53, surpassing paclitaxel at -8.7 kcal/mol. This suggests its potential to modulate TP53, impacting P53's role in impeding cancer cell growth. EESD exhibited an IC50 of 215μg/mL, signifying moderate cytotoxicity. In formulating nanoparticle effervescent granules, five formulas were transformed into nanoparticles and underwent organoleptic, pH, granule dissolution, and water content evaluations. Formula I is the formula that best meets the criteria with a pH of 6.55, granule dissolution <5 minutes, and water content <4%. The research results indicate that EESD shows anticancer activity against MCF-7 and this study has successfully developed a formula of nanoparticle from EESD in effervescent granule form.Keywords: Selaginella doederleinii, breast cancer, co-Cemotheraphy, MCF-7 Cell, in silico.
In-Silico Test of Myricetin, Phyllanthin, Luteolin Compounds Against SARS-CoV-2 Proteins Noviyanti, Vidia; Arifin, Nuha Haifa; Ikfini, Hayu; Febriansah, Rifki
Pharmaceutical Sciences and Research
Publisher : UI Scholars Hub

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

Abstract

Coronavirus disease 2019 (COVID-19), which emerged in late 2019 and was first detected in Indonesia in March 2020, has significantly reshaped the country’s public health landscape. Aside from the viral outbreak itself, a decline in immunity among the population due to excessive concern about the pandemic has also become a significant issue. This study aimed to evaluate the potential of myricetin, phyllanthin, and luteolin compounds as inhibitors of the SARS-CoV-2 (Severe Acute Respiratory Syndrome Coronavirus 2) virus by targeting the main protease and spike glycoprotein receptor-binding domain proteins through in silico molecular docking. Remdesivir and favipiravir were used as comparison compounds. The molecular docking process involved several stages including structural preparation, protein preparation, method validation, and docking between the compounds with the target protein. The docking results were assessed based on binding energy values, where lower energy indicates a stronger and more stable interaction between the compound and the protein. The binding energies of myricetin, phyllanthin, luteolin, favipiravir and remdesivir compounds with the main protease protein were -6.2, -5.5, -5.3, -4,4, and -5.5 kcal/mol, respectively. The binding energies of those compounds with spike glycoprotein-RBD were -6.0, -4.2, -4.8, -6.0, and -5.3 kcal/mol, respectively. The results showed that myricetin exhibited stronger binding affinity compared to phyllanthin and luteolin and may serve as a promising inhibitor of main protease and spike glycoprotein receptor-binding domain proteins.
Co-Authors Adi Hermawansyah Aditya Fitriasari Aini, Dita Aji Winanta Aji Winanta Aji Winanta Alamsyah, Maura Shavira Aldi Ihza Mahendra Amaliyah, Alfiah Anggi Sabaya Anggraini, Chaessy Yori Arifin, Nuha Haifa Arsito, Puguh Novi Asti Widuri, Asti Cika Fathunissa Desmayanti, Astri Desy Bintang, Desy Devanola Pitaloka Aninda Matsna Aziza Devi Rahmawati, Devi Dita Prabaningrum, Dita Dita Sozianty Dwi Susilo Hardika, Dwi Susilo Dyaningtyas Dewi P. Putri Dzilqi Bustanul Hadi, Dzilqi Bustanul Ega Hida Prabowo Endah Puspitasari Fajriyah, Qatrunada Fatma Sari Masitha Hanik, Linta Sabila Hardi Astuti Witasari Hari Widada Hari Widada, Hari Hidayaturahmah, Rizky Ikfini, Hayu Iwan Dewanto, Iwan Johan Agung Dermawan Julita, Irna Juniananda, Melisa Kenyori, Ivana Kinanti Kintoko Kintoko Krisridwany, Annisa Kusnindyasita, Anisa Kusumaningtyas, Triana Arum Masitha, Fatma Sari Muhammad Arif Rizqi Muhammad Salman Fareza Muhtadi Muhtadi Mulyanti, Amelia Nur'afni Mustafid Amna Nazariah Putri Ningrum, Dhecella Ningrum, Dhecella Winy Cintya Ningsih, Tria Nisriina Yusan Nindy Azzahra Novitasari, Putri Rachma Noviyanti, Vidia Nuha Haifa ARIFIN Nuha Haifa Arifin Nur Ismiyati Nur Oktafiyani, Nur Octavia, Melany Ayu Ramdhani Saifulloh Ranti, Imaniar Rawi Ingra Savitri Sabtanti Harimurti, Sabtanti Saputri, Dwi Saputri, Ginanjar Zukhruf Sarmoko Sarmoko Setiadi, Prismo Setiadi, Prismo Bagas Setiyawati, Fitri Indah Siska Febdian Nitami Siti Nahdiyatul Ummah Sri Tasminatun Totok Suwanda Triana Kusumaningtyas, Triana Utami, Febri Widyaningrum, Rachmawati Yulianto Yulianto