R. Rahmawati, Z. Zulkifli, T. R. Nuringtyas, R. Jenie, L. Nugroho
{"title":"Antioxidant and Anticancer Activity of Dillenia serrata Thunb Ethanol Extract Against MCF-7 Breast Cancer Cell Line","authors":"R. Rahmawati, Z. Zulkifli, T. R. Nuringtyas, R. Jenie, L. Nugroho","doi":"10.14499/indonesianjcanchemoprev13iss3pp175-183","DOIUrl":"https://doi.org/10.14499/indonesianjcanchemoprev13iss3pp175-183","url":null,"abstract":"Women’s breast cancer incidence rate in Indonesia ranks number one with 12 per 100,000 cases, with luminal A as the dominant subtype. Currently, chemotherapeutic agents have limitations that lead to inefficiencies in therapy, therefore it is necessary to develop more effective and efficient chemopreventive agents. Plant secondary metabolites can provide pharmacological effects that can be used as chemoprevention agents. Secondary metabolites of D. serrata may have pharmacological effects as antioxidants and cytotoxic. This study aims to determine the antioxidant properties and cytotoxic activity of D. serrata ethanolic extract on the MCF-7 breast cancer cell line. The leaves of D. serrata were macerated, while the bark and root samples were refluxed with 96% ethanol as solvent. All extracts were evaporated with a rotary evaporator. Qualitative evaluation of the phytochemical content of leaf ethanolic extract, bark ethanolic extract, and root ethanolic extract was done using the standard tube test method. The antioxidant assay was carried out using the DPPH. The cytotoxic activity was determined in vitro using an MTT assay against the MCF-7 cell line with a series of concentrations from 12.5–400 μg/mL. Doxorubicin was the positive control treated at a 3.125–100 μg/mL concentration. The antioxidant activity showed that leaf extract had the highest antioxidant activity, followed by root and bark extract, with IC50 values of 95.66, 270.5, and 335.96 ppm, respectively. Leaf ethanolic extract and root ethanolic extract’s cytotoxic ability is considered moderate cytotoxic with IC50 values of 493.17 and 229.82 μg/mL, respectively. Amongst the ethanolic extract from the leaf, bark, and root of D. serrata, the leaf ethanolic extract has the best anti-oxidant activity and the bark ethanolic extract was the most cytotoxic one against MCF-7 cells.Keywords: Antioxidant, Cytotoxic, Dillenia serrata, MCF-7.","PeriodicalId":32620,"journal":{"name":"ISCC Indonesian Journal of Cancer Chemoprevention","volume":"24 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84843476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ira Resmi Melani, M. F. Wafi, Mohammad Reza Riandinata, Putri Aulawiya Rosyida Halim, Roihatul Muti'ah, D. Santosaningsih
{"title":"Potential Inhibition of Melaleuca leucadendron L. Compounds Against the NSP5 SARS CoV-2 Protein","authors":"Ira Resmi Melani, M. F. Wafi, Mohammad Reza Riandinata, Putri Aulawiya Rosyida Halim, Roihatul Muti'ah, D. Santosaningsih","doi":"10.14499/indonesianjcanchemoprev13iss3pp195-206","DOIUrl":"https://doi.org/10.14499/indonesianjcanchemoprev13iss3pp195-206","url":null,"abstract":"COVID-19 is an infectious disease caused by Severe Acute Respiratory Syndrome (SARS-CoV-2), causing a global health emergency as a pandemic disease. The lack of certain drug molecules or treatment strategies to fight this disease makes it worse. Therefore, effective drug molecules are needed to fight COVID-19. Non Structural Protein (NSP5) or called Main Protease (Mpro) of SARS CoV 2, a key component of this viral replication, is considered a key target for anti-COVID-19 drug development. The purpose of this study is to determine whether the compounds in the Melaleuca leucadendron L. plant such as 1,8-cineole, terpene, guaiol, linalol, α-selinenol, β-eudesmol and γ-eudesmol are predicted to have antiviral activity for COVID-19. Interaction of compounds with NSP5 with PDB code 6WNP analyzed using molecular docking with Molegro Virtual Docker. Based on binding affinity, the highest potential as an anti-viral is Terpineol with binding energy (-119.743 kcal/mol). The results of the interaction showed that terpinol has similarities in all three amino acid residues namely Cys 145, Gly 143, and Glu 166 with remdesivir and native ligand. Melaleuca leucadendron L. may represent a potential herbal treatment to act as: COVID-19 NSP5, however these findings must be validated in vitro and in vivo.Keywords: COVID-19, In Silico, NSP5/ 6WNP, Melaleuca leucadendron L.","PeriodicalId":32620,"journal":{"name":"ISCC Indonesian Journal of Cancer Chemoprevention","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83358393","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
F. Sani K., Dian R Magfirah, Y. Yuliawati, Elisma Elisma, Uce Lestari
{"title":"Acute Toxicity Test of Ekor Naga (Rhaphidophora pinnata (L.f) Schott) Leaf Extract in Mice and Kidney Histological Examination","authors":"F. Sani K., Dian R Magfirah, Y. Yuliawati, Elisma Elisma, Uce Lestari","doi":"10.14499/indonesianjcanchemoprev13iss3pp152-158","DOIUrl":"https://doi.org/10.14499/indonesianjcanchemoprev13iss3pp152-158","url":null,"abstract":"Ekor Naga (Rhaphidophora pinnata (L.f) Schott) is a traditional plant used by the community. Previous studies have shown that this plant has pharmacological effects, including as anthelmintics, antioxidant, and anti-inflammatory agent as well as promotes wound healing. Thus, it is necessary to do a toxicity test. The study aimed to determine the effect of the extract on histopathology of the kidney through a toxicity test. The research used an experimental design. The test animals were divided into 5 groups, each of which consisted of 5 test animals: negative control (0.5% Na. CMC), Treatment 1 (Extract of ekor naga leaves at a dose of 200 mg/Kg BW), Treatment 2 (Extract of ekor naga leaves at a dose of 600 mg/Kg BW), Treatment 3 (Extract of ekor naga leaves at a dose of 1800 mg/Kg BW), and Treatment 4 (Extract of Ekor Naga Leaves at a dose of 5400 mg/Kg BW). The parameters observed were the Letal Dose (LD50) and the histophatology of the kidney. Data were analyzed using One Way ANOVA test, followed with Duncan’s test. The results showed no significant difference in the weight of the kidney (p>0.05), and the histophatology of the kidney after 14 days of acute administration of ekor naga leaf extract in all the treatment was normal. The administration of ekor naga leaf extract at therapeutic doses and larger doses of single administration did not have a bad effect on the histology of the kidney.Keywords: Ekor Naga Leaves, Kidney, Histopathology, Acute Toxicity.","PeriodicalId":32620,"journal":{"name":"ISCC Indonesian Journal of Cancer Chemoprevention","volume":"78 1-2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73028741","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Novyananda Salmasfattah, N. Nurulita, B. A. Dhiani
{"title":"Virtual Screening on Molecules Targeting the Interaction Between Estrogen Receptor Beta and Murine Double Minute 2","authors":"Novyananda Salmasfattah, N. Nurulita, B. A. Dhiani","doi":"10.14499/indonesianjcanchemoprev13iss3pp184-194","DOIUrl":"https://doi.org/10.14499/indonesianjcanchemoprev13iss3pp184-194","url":null,"abstract":"Estrogen receptor beta (ERβ) is an isoform of estrogen receptor that plays a role in breast cancer. An E3 ubiquitin ligase, murine double minute 2 (MDM2), can bind to ERβ and degrade it. Virtual screening and protein-protein docking studies are one of the approaches that can be performed to discover FDA-approved drugs targeting the interaction of the ERβ-MDM2 complex. This study aimed to conduct virtual screening of 1615 compounds targeting the interaction between ERβ-MDM2 as an initial study to discover potential breast cancer drugs. Biovia Discovery Studio 2021, ClusPro 2.0, PyRx 8.0, and PyMOL software were utilized in this study. ERβ (PDB ID: 3OLS) and MDM2 (PDB ID: 1T4E) receptors were docked to obtain the ERβ-MDM2 protein complex. The ligands used in the virtual screening were FDA-approved drugs downloaded from the ZINC database. PIC and PLIP web tools were also utilized to analyze the amino acid residues involved in the interaction. The virtual screening results showed that ergotamine was the drug with the lowest energy score (-12.0 kcal/mol) among 1057 drugs and was able to establish the strongest interaction between ERβ-MDM2. In conclusion, based on this computational study, ergotamine strengthens the interaction between ERβ-MDM2 and thus could be used as a candidate for breast cancer drug. Thorough validation of in vitro, biochemical, and in vivo studies are needed to confirm this finding.Keywords: Estrogen receptor beta, breast cancer, protein-protein interaction, MDM2.","PeriodicalId":32620,"journal":{"name":"ISCC Indonesian Journal of Cancer Chemoprevention","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90493408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Siti Fathurrohmah, G.A.B Yehezkiel P. Cahyadi, F. Alamsyah, R. Pratiwi
{"title":"Electric Field-Based Cancer Therapy Induces the Expression of HMGB1 and PD-L1 mRNA Genes on Breast Tumor of Female Rats","authors":"Siti Fathurrohmah, G.A.B Yehezkiel P. Cahyadi, F. Alamsyah, R. Pratiwi","doi":"10.14499/indonesianjcanchemoprev13iss2pp128-136","DOIUrl":"https://doi.org/10.14499/indonesianjcanchemoprev13iss2pp128-136","url":null,"abstract":"Electro Capacitive Cancer Therapy (ECCT) is an electric field-based cancer therapy method using intermediate frequency (150 kHz) and low intensity (18 Vpp). High Mobility Group Box 1 (HMGB1) is a cytokine related to damage-associated molecular patterns (DAMPs) secreted by dead cells. The expression of Programmed Death Ligand 1 (PD-L1) is ligand present on the surface of tumor cells and its expression is associated with the increase in the number CD8+ T lymphocytes. This study aims to examine the effect of ECCT exposure on the expression of HMGB1 and PD-L1 genes on the breast tumor, brain, and liver tissues of Rattus norvegicus (Berkenhout, 1769). The tissues were obtained from the previous studies stored in RNAlater (-20˚C). Female rat tissues of the previous study from four treatment groups, namely the control group (NINT), non-DMBA-induction with therapy (NIT), DMBA-induction with non-therapy (INT), and DMBA-induction with therapy (IT). Gene expression was analyzed using the RT-qPCR. Statistical t-test with a p<0.05 significance level was performed using GraphPad Prism 9.4.0 software. The result shows HMGB1 and PD-L1 mRNA genes were both significantly expressed in breast tumor samples. The liver and brain samples of normal rats did not show any significant changes in the activity of these genes after exposure to the electric field. This study indicates that exposure to electric fields may trigger the expression of HMGB1 and PD-L on the rat’s breast tumor samples. This study also provides information related to the safety of ECCT in healthy organs of female rats, especially the brain and liver.Keywords: ECCT, breast tumor, HMGB1, PD-L1, IFN- γ.","PeriodicalId":32620,"journal":{"name":"ISCC Indonesian Journal of Cancer Chemoprevention","volume":"8 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88792457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dhania Novitasari, E. Meiyanto, Jun Kato, R. Jenie
{"title":"Antimigratory Evaluation from Curcumin-Derived Synthetic Compounds PGV-1 and CCA-1.1 on HCC1954 and MDA-MB-231 Cells","authors":"Dhania Novitasari, E. Meiyanto, Jun Kato, R. Jenie","doi":"10.14499/indonesianjcanchemoprev13iss2pp71-82","DOIUrl":"https://doi.org/10.14499/indonesianjcanchemoprev13iss2pp71-82","url":null,"abstract":"Earlier findings reported the anticancer-mediated activities of curcumin-modified compounds Pentagamavunone-1 (PGV-1) and Chemoprevention Curcumin Analog 1.1 (CCA-1.1) with several mechanisms including cell cycle arrest, reactive oxygen species (ROS) production, and cell migration disruption. Our study aims to evaluate the antimigratory activity of PGV-1 and CCA-1.1 on aggressive breast cancer cell lines (MDA-MB-231 and HCC1954 cells) and their effect on HER2 protein. The trypan blue exclusion method was conducted for the antiproliferative effect. The PGV-1 or CCA-1.1 effect on cell migration was determined by wound healing assay. Using gelatin zymography, we checked the secretion level of matrix metalloproteinase (MMP). We also evaluated the human epidermal growth receptor-2 (HER2) level after incubation with PGV-1 or CCA-1.1 in HCC1954 cells by western blot. Based on the antiproliferation assay, MDA-MB-231 and HCC1954 cells were sensitive to PGV-1 and CCA-1.1. MMP-2 was only observed in HCC1954 cells while MMP-9 was only observed in MDA-MB-231. Both PGV-1 and CCA-1.1 significantly suppressed MMP-9 activity in MDA-MB-231 cells. Moreover, PGV-1 inhibited HER2 protein levels in HCC1954 although it was not significant, whereas CCA-1.1 did not affect HER2 protein. This study strengthens the scientific evidence for PGV-1 and CCA-1.1 activities for future exploration as candidate chemotherapy with multitarget against breast cancer.Keywords: Curcumin analog, cell migration, MMP-9, HER2, breast cancer.","PeriodicalId":32620,"journal":{"name":"ISCC Indonesian Journal of Cancer Chemoprevention","volume":"46 12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85774233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sunani Sunani, Maya Andani, Asilla Mauri Ramdini Kamaludin, Nyai Ayu Sylfia Stannia Puspitasari Helmi, Kai Mei, Yunitasya Guspira, Oktavia Sabetta, D. Aulifa
{"title":"In Silico Study of Compounds in Bawang Dayak (Eleutherine palmifolia (L) Merr.) Bulbs on Alpha Estrogen Receptors","authors":"Sunani Sunani, Maya Andani, Asilla Mauri Ramdini Kamaludin, Nyai Ayu Sylfia Stannia Puspitasari Helmi, Kai Mei, Yunitasya Guspira, Oktavia Sabetta, D. Aulifa","doi":"10.14499/indonesianjcanchemoprev13iss2pp83-93","DOIUrl":"https://doi.org/10.14499/indonesianjcanchemoprev13iss2pp83-93","url":null,"abstract":"Breast cancer is an uncontrolled malignancy of the breast that originates from glandular cells, gland ducts, and the supporting tissues of the breast. The development of herbal-based anticancer drugs is progressing, one of which is derived from the natural ingredients of Eleutherine palmifolia tubers. The aim of this study was to determine the activity of compounds derived from Eleutherine palmifolia tubers on the alpha-estrogen receptor (ERα) using an in silico study. The crystal structure of the enzyme used was 3ERT which was obtained from the Protein Data Bank (PDB). The applications used in this journal are Chem3D (initial preparation of ligands and receptors), AutoDock4 (redocking and calculation of root mean square deviation (RSMD)), and Biovia (visualization of redocking results). Tamoxifen was used as a reference ligand. Based on the results of the in silico study, the best compound that has the potential to be developed as a candidate for anticancer drug is Eleutherine because the results of the in silico test on Eleutherine have a value of G=-7.56 kkal/mol and the smallest KI=2.89 nM, so it can be concluded that eleutherine is one of potential drug candidate for anti cancer.Keywords: Breast cancer, eleutherine, estrogen receptor α.","PeriodicalId":32620,"journal":{"name":"ISCC Indonesian Journal of Cancer Chemoprevention","volume":"44 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83710378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Cytotoxicity Effect of Self-Nanoemulsifying Drug Delivery System from Chloroform Extract of Bay Leaf (Syzygium Polyanthum (Wight) Walp.) with Oleic Acid as a Carrier","authors":"A. N. Artanti, F. Prihapsara, S. Rohmani","doi":"10.14499/indonesianjcanchemoprev13iss2pp94-103","DOIUrl":"https://doi.org/10.14499/indonesianjcanchemoprev13iss2pp94-103","url":null,"abstract":"Bay leaves are used as food flavoring and also have medicinal properties. They may have cytotoxic effects derived from natural ingredients. The low efficacy of the therapy with an adequate dose preparation of the plant extract is due to its low solubility and oral bioavailability that is less than the maximum. Hence, this study aimed to improve the solubility and oral bioavailability of the extract mainly for the chloroform extract of leaves that are not soluble in water by preparing a self-nanoemulsifying drug delivery system (SNEDDS). Then, the potential cytotoxic effects of the SNEDDS of bay leaves were determined by calculating the value of IC50 on the T47D cell line. The cytotoxic effect of the SNEDDS of bay leaves was determined using an MTT assay, and the findings were read using an ELISA reader. Data analysis is calculated via linear regression methods by using Microsoft Excel software. The results showed that the SNEDDS of bay leaves performed cytotoxic effects on the T47D cell line with IC50 138 μg/mL. The results showed that the optimal composition formula SNEDDS, namely, Tween 20:PG:oleic acid = 2.25:2.25:0.5 in 5 mL SNEDDS preparation, which had a value of transmittance of 83.81% with emulsification time was less than 5 min; the average droplet size was 165.5 nm, and the zeta potential was −0.4 mV. The data analysis showed that the cytotoxicity effect of the SNEDDS of bay leaves is included in the moderate cytotoxic category.Keywords: Bay leaf, optimization, nanoemulsi, cytotoxicity.","PeriodicalId":32620,"journal":{"name":"ISCC Indonesian Journal of Cancer Chemoprevention","volume":"16 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81939463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. Suyoko, P. W. Prasetyaningrum, E. P. Septisetyani
{"title":"Simple Procedure for the Isolation of Mesenchymal Stem Cells from Different Parts of the Human Umbilical Cord","authors":"A. Suyoko, P. W. Prasetyaningrum, E. P. Septisetyani","doi":"10.14499/indonesianjcanchemoprev13iss2pp104-113","DOIUrl":"https://doi.org/10.14499/indonesianjcanchemoprev13iss2pp104-113","url":null,"abstract":"The umbilical cord and placenta are both sources of mesenchymal stem cells (MSCs) that are promising for cell-based therapy. Furthermore, compared to other MSCs sources, they are easy to obtain with no invasive procedures. This study presents an adapted method for stem cell isolation from three different parts of the human umbilical cord, including Wharton’s jelly (WJ), cord lining (CL), and cord-placenta junction (CPJ). The isolation consists of sample preparation, tissue dissection into distinct anatomical regions, mincing and enzyme digestion, and explant culturing. In addition, we monitored when the cells migrated from the explant to the bottom of the cell culture dish and passed the cells after they became confluent. This study found that WJ cells were the first to reach confluence at Passage 0 (P0). In contrast, CL cells needed the longest time to get confluence at P0 but displayed faster cell growth after subsequent passages (P1-P2). In addition, CPJ cells showed growth retardation after P1 and P2. Altogether, we could extract the MSCs from umbilical cord tissue explants by using DMEM supplemented with 10% FBS, 100 IU/mL penicillin, and 100 μg/mL streptomycin as general cell culture medium and omitting the use of gentamicin. However, the MSCs may need a more complex specified medium for optimum cell regeneration for further cell expansion.Keywords: mesenchymal stem cells, umbilical cord, Wharton’s jelly, cord lining, cord-placenta junction.","PeriodicalId":32620,"journal":{"name":"ISCC Indonesian Journal of Cancer Chemoprevention","volume":"10 1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81111463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The Exploration of Vetiver (Vetiveria zizanioides) as Co-Chemotherapy of Lung Cancer Selectively Targets AKR1C1: Bioinformatics Approach","authors":"Lucky Octavianus Saputra, Salsabila Yusfita Fawzy, Ratih Kurnia Wardani, E. Lukitaningsih","doi":"10.14499/indonesianjcanchemoprev13iss2pp114-127","DOIUrl":"https://doi.org/10.14499/indonesianjcanchemoprev13iss2pp114-127","url":null,"abstract":"Reactive Oxygen Species (ROS) is one of the cancer-causing agents, one of which is lung cancer. In addition to being carcinogenic, ROS can also be used to kill cancer cells themselves, by increasing their levels to the threshold of apoptosis. Therefore, it is necessary to inhibit certain antioxidant enzymes that are highly expressed in lung cancer. One of them is AKR1C1 which plays a role in the eradication of intracellular ROS. However, AKR1C1 has a high structural similarity to AKR1C2, so it can inhibit therapy causing selectivity problems. Vetiver (Vetiveria zizanioides) has potential as an anticancer. This study was conducted to explore vetiver as a co-chemotherapeutic agent for lung cancer targeting AKR1C1 selectively. The method used is distillation, identification of vetiver compounds using GC-MS, and through bioinformatics studies. Predictive analysis with KNIME was carried out to determine the activity of the test compound. All tested vetiver compounds had a predictive value of 1 (active) on AKR1C1 and 0 (inactive) on AKR1C2. Through GC-MS obtained 354 compounds were identified. These compounds are used to filter the compounds predicted by KNIME. The molecular docking results showed that of the 10 tested vetiver compounds, there was 1 compound that had the strongest bond in interacting with AKR1C1, namely beta vetispirene compound with an S-score of -15.12 kcal/mol, and stronger than native ligand and aspirin. Based on the research data, it can be concluded that the beta vetispirene compound in vetiver can be a potential co-chemotherapy agent for lung cancer in targeting AKR1C1 selectively. However, further research is needed to prove its activity on lung cancer cells.Keywords: ROS (Reactive Oxygen Species), Lung Cancer, AKR1C1, selectivity, vetiver (Vetiveria zizanioides).","PeriodicalId":32620,"journal":{"name":"ISCC Indonesian Journal of Cancer Chemoprevention","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74383686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}