Anita Puspa Widiyana, T. Widiandani, Siswandono Siswodihardjo
{"title":"5-O-Acetylpinostrobin derivatives inhibit estrogen alpha and progesterone receptors through a molecular docking approach","authors":"Anita Puspa Widiyana, T. Widiandani, Siswandono Siswodihardjo","doi":"10.46542/pe.2024.243.244250","DOIUrl":"https://doi.org/10.46542/pe.2024.243.244250","url":null,"abstract":"Background: Among all cancers, breast cancer accounts for 11.7% of new cases and 6.9% of deaths worldwide. This is driven by increased estrogen receptor alpha (ERα) and progesterone receptor (PgR) expression. Many breast cancer drugs cause various side effects. Modifying the structure of pinostrobin by adding acyl groups to obtain 5-O-acetylpinostrobin derivatives can increase its activity and selectivity.\u0000Objective: This study aimed to predict the interaction of 5-O-acetylpinostrobin derivatives with ERα and PgR.\u0000Method: A molecular docking approach using AutodockTool. The Protein Data Bank (PDB) was used to obtain ID 3ERT (ERα) and 2W8Y (PgR).\u0000Result: The analysis showed the value of free energy binding (ΔG) to ERα with a range of -8.58 to -5.76 kcal/mol and an inhibition concentration (Ki) of 0.51 to 59.91 μM. PgR had ΔG values of -12.37 to -8.30 kcal/mol and Ki of 0.86 to 830.64 nM.\u0000Conclusion: The study showed that 5-O-4-(dimethylamino)benzoylpinostrobin, 5-O-cyclohexancarbonylpinostrobin, 5-O-2-phenylacetylpinostrobin, 5-O-3-phenylpropanoylpinostrobin, and 5-O-cyclobutanecarbonylpinostrobin have the potential to be synthesised and serve as the basis for the development of new anticancer compounds that inhibit ERα and PgR in breast cancer.","PeriodicalId":19944,"journal":{"name":"Pharmacy Education","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141038390","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}
Dhea Ananda Ainurrizma, J. Ekowati, Denayu Pebrianti, N. Diyah, M. Adrianto, Ravi Kiran Deevi, I. S. Hamid
{"title":"Molecular docking of ferulic acid analogue compounds against epidermal growth factor receptor as a potential therapy for breast cancer","authors":"Dhea Ananda Ainurrizma, J. Ekowati, Denayu Pebrianti, N. Diyah, M. Adrianto, Ravi Kiran Deevi, I. S. Hamid","doi":"10.46542/pe.2024.243.185190","DOIUrl":"https://doi.org/10.46542/pe.2024.243.185190","url":null,"abstract":"Background: Triple-negative breast cancer (TNBC) accounted for 18.1% of the breast cancer cases that occurred in Indonesia until 2020. Epidermal growth factor receptor (EGFR) overexpression is found in at least 50% of TNBC cases. So far, it is necessary to find an anti-cancer compound that has the potential against TNBC-type breast cancer to achieve good health and well-being.\u0000Objective: Ferulic acid derivatives were designed to be active on EGFR in silico study.\u0000Methods: Molecular docking was performed using Auto Dock 1.5.7 and PyRx 0.8 software, and visualisation was observed using Discovery Studio. FA ligand and its four derivatives were docked into the receptor EGFR (PDB ID: 3W33).\u0000Results: It was found that ferulic acid derivatives have high potential as an anticancer through EGFR inhibition in TNBC-type breast cancer. 4-(4-methyl) benzoyloxy-3-methoxycinnamic acid had the best potential among other derivatives, which showed the lowest binding free energy of -8.81 kcal/mol and the smallest Ki of 352.65nM. Methyl substitution at the benzoyloxy increased ligand interaction with amino acids in EGFR by increasing hydrophobic π-alkyl, π-π and alkyl binding with amino acids.\u0000Conclusion: The 4-(4-methyl) benzoyloxy-3-methoxycinnamic acid was the most prospective compound as an EGFR inhibitor and predicted as the most potential compound against breast cancer.","PeriodicalId":19944,"journal":{"name":"Pharmacy Education","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141053822","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":"Hydrogen bond analysis of the p-coumaric acid-nicotinamide cocrystal using the DFT and AIM method","authors":"F. Pujiono, Dwi Setyawan, J. Ekowati","doi":"10.46542/pe.2024.243.5762","DOIUrl":"https://doi.org/10.46542/pe.2024.243.5762","url":null,"abstract":"Background: The molecular geometric structure of p-coumaric acid-nicotinamide has been optimised using Density Functional Theory (DFT) and Atom In Molecule (AIM). \u0000Objective: To analyse the hydrogen bond of the p-coumaric acid–nicotinamide cocrystal. \u0000Method: Structural optimisation using DFT was carried out on the basis set B3LYP/6-311G++ (d, p). The electron density topology from the optimisation results obtained was then validated using the Non-Covalent Interaction (NCI) method. \u0000Result: Optimisation results showed that there are intermolecular hydrogen bonds in the carbonyl group of p-coumaric acid and the amine group of nicotinamide, namely C1=O11∙∙∙O34 with length 1.804 Å. On the other hand, the results of the topology test with AIM showed a value of ∇2ρ = 0.1196 a.u; G = 0.0393 a.u; H = 0.0946 a.u; V = -0.0488 a.u which means there was an intermolecular Hydrogen bond with EH∙∙∙O = -64.05 a.u. \u0000Conclusion: A hydrogen bond in the cocrystal of p-coumaric acid-nicotinamide is classified as an intermolecular hydrogen bond between the carbonyl group of p-coumaric acid and the amine group in the carboxyl group.","PeriodicalId":19944,"journal":{"name":"Pharmacy Education","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141054493","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":"Anthelmintic mass drug administration in the Kusan Hilir subdistrict, Tanah Bumbu Regency, South Borneo 2021","authors":"Nita Rahayu, Yuniarti Suryatinah","doi":"10.46542/pe.2024.243.3944","DOIUrl":"https://doi.org/10.46542/pe.2024.243.3944","url":null,"abstract":"Background: The evaluation for the deworming programmes or anthelmintic mass drug administration (MDA) had not been done in the Kusan Hilir subdistrict, Tanah Bumbu Regency, South Borneo Province, Indonesia.\u0000Objective: This study aimed to evaluate the implementation of anthelmintic MDA helminthiasis in Tanah Bumbu Regency.\u0000Methods: This mixed-method research used an observational cross-sectional approach, with descriptive and bivariate analysis for quantitative data and thematic content for qualitative data.\u0000Results: From 623 samples, 23(3.69%) subjects had helminth infection with an overall prevalence below the standard(<10%). There were 64.8% of respondents who agreed that taking deworming drugs prevents helminthiasis. In-depth interviews with the managers of the deworming programme in Tanah Bumbu Regency showed that MDA, health promotion, and surveillance or monitoring of helminthiasis were implemented based on Regulation of the Indonesian Ministry of Health (MoH) Number 15/2017.\u0000Conclusion: The implementation of the anthelmintic MDA programme in Tanah Bumbu Regency was successful.","PeriodicalId":19944,"journal":{"name":"Pharmacy Education","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141047483","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":"Molecular docking of gingerol and shogaol for immunomodulatory effect in lupus disease","authors":"Herni Setyawati, Oeke Yunita, Achmad Syahrani","doi":"10.46542/pe.2024.243.141146","DOIUrl":"https://doi.org/10.46542/pe.2024.243.141146","url":null,"abstract":"Background: One of the autoimmune diseases associated with high mortality is lupus or Systemic Lupus Erythematosus (SLE). In addition to symptomatic therapy, the treatment management of this condition includes immunomodulatory therapy. Various studies have been carried out on immunomodulators from natural products. Ginger rhizome (Zingiber officinale Roxb.) is a plant with potential immunomodulatory activity. Shogaol, which gives a spicy taste, is a metabolite of gingerol, a marker compound in ginger. Both of these compounds become important components of pharmacological activity.\u0000Objective: This study aimed to determine the in silico immunomodulatory activity of gingerol and shogaol compounds contained in ginger against S100A9, CTLA-4, SRSF1, JAK3, and MYD88 receptors.\u0000Method: In silico, a test was carried out using Pymol and PyRx applications, and receptors were involved in developing the immune system and SLE disease.\u0000Result: Docking results showed negative binding affinity and an RMSD of 2˚Angstroms. The shogaol, gingerol, and tofacitinib had several amino acid residues in common.\u0000Conclusion: In-silico analysis suggests that shogaol and gingerol could modulate the immune response against lupus. The resulting protein residues were similar between shogaol, gingerol, and the control, supporting their potential for immunomodulatory activity against lupus disease.","PeriodicalId":19944,"journal":{"name":"Pharmacy Education","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141053581","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}
Ahmed A Al-Qubati, M. Rahmadi, T. Widiandani, J. N. Al-Maamari, J. Khotib
{"title":"The role of IL-1, IL-6 and TNF-α in breast cancer development and progression","authors":"Ahmed A Al-Qubati, M. Rahmadi, T. Widiandani, J. N. Al-Maamari, J. Khotib","doi":"10.46542/pe.2024.243.3238","DOIUrl":"https://doi.org/10.46542/pe.2024.243.3238","url":null,"abstract":"Background: Breast cancer (BC) is the most diagnosed cancer among women worldwide and the second-most cause of women's deaths. The interleukin-1 (IL-1), interleukin-6 (IL-6), and tumour necrosis factor-α (TNF-α) are critical for BC pathogenesis. They participate in BC development and progression by regulating several pathways. The findings of this review paper can potentially guide the development of targeted therapies that can improve the prognosis and treatment outcomes for BC patients. \u0000Objective: To make a comprehensive and up-to-date review of the original papers on the role of IL-1, IL-6, and TNF-α in BC development and progression. \u0000Method: This literature review is an iterative and objective analysis of the English original papers published in the last five years, which linked IL-1, IL-6, TNF-α, and BC. \u0000Result: IL-1, IL-6, and TNF-α significantly affect angiogenesis, proliferation, apoptosis, survival, and metastatic in BC by regulating the PI3K-PKB/Akt, JNK, IL-6/JAK/STAT3, Ras/Raf, AKT, MAPK, and NF-κB pathways. They also modulate the TME by promoting the production of extracellular matrix components and stimulating the recruitment of immune cells. \u0000Conclusion: Inhibiting IL-1, IL-6, and TNF-α and their downstream signalling intermediates could be promising strategies for suppressing BC development and progression. Further in-depth research is necessary to develop novel targeted therapies and improve patient outcomes.","PeriodicalId":19944,"journal":{"name":"Pharmacy Education","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141040636","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}
I. Nengah, Budi Sumartha, Pingkan Aprilia, Muhammad Hilal Salim, Linda Wiwid Kurniasari, Ghaliya Afra, M. Rahmadi, Muhammad Zaki Bin Ramli, Amar Daud, Iskandar Abdullah, J. Khotib, Chrismawan Ardianto
{"title":"Andrographolide exerts an anxiolytic-like effect possibly via regulation of the hypothalamic-orexinergic system","authors":"I. Nengah, Budi Sumartha, Pingkan Aprilia, Muhammad Hilal Salim, Linda Wiwid Kurniasari, Ghaliya Afra, M. Rahmadi, Muhammad Zaki Bin Ramli, Amar Daud, Iskandar Abdullah, J. Khotib, Chrismawan Ardianto","doi":"10.46542/pe.2024.243.1218","DOIUrl":"https://doi.org/10.46542/pe.2024.243.1218","url":null,"abstract":"Background: Anxiety is a psychiatric disorder that causes many problems in life such as poor concentration, sleep disturbance, and feelings of unease to anticipate future threats. The hypothalamus is a part of the limbic system that regulates stress. The orexinergic system, naturally produced in the hypothalamus, is associated with anxiety and depression which is induced by stress. Andrographolide has antioxidants and anti-inflammation properties that are possibly effective in preventing stress-induced anxiety.\u0000Objective: This study was designed to investigate the effect of andrographolide on anxiety-like behaviour and orexinergic systems. \u0000Method: The ddY strain mice were exposed to electrical footshock stress for five days. The light was used as a contextual fear conditioning during stress exposure. Exactly 50 mg/kg of Andrographolide was given intraperitoneally, along with stress induction. The anxiety-like behaviour was investigated using two approaches: the duration of the freezing behaviour and the mice’s natural aversion to exploring open space. The hypothalamus was collected to examine the orexinergic systems. \u0000Result: Stress induction developed an anxiety-like behaviour in mice while administering andrographolide attenuated this effect. Additionally, andrographolide administration stimulated the hypothalamic orexinergic system. \u0000Conclusion: Andrographolide exerts an anxiolytic effect possibly via regulation of the hypothalamic orexinergic system.","PeriodicalId":19944,"journal":{"name":"Pharmacy Education","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141057624","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":"Evaluation of drug related problems among hospitalised elderly patients at a secondary hospital in East Borneo","authors":"Welinda Dyah Ayu, E. Zairina, U. Athiyah","doi":"10.46542/pe.2024.243.240243","DOIUrl":"https://doi.org/10.46542/pe.2024.243.240243","url":null,"abstract":"Background: The elderly population often requires increased drug intake (polypharmacy) due to diminished organ function, particularly in the liver and kidneys, responsible for processing medications. Identifying drug-related problems (DRPs) in this demographic is crucial for mitigating morbidity, mortality, and overall drug therapy costs.\u0000Objective: This study aimed to identify DRPs and their determinants in hospitalised geriatric patients.\u0000Methods: An observational retrospective study was conducted in the Secondary Hospital in East Borneo from January 2019 - December 2021. Data were collected from medication charts, including patients aged 60-79, medical progress notes, and laboratories. DRPs were identified and classified using Pharmaceutical Care Network Europe’s (PCNE) classification V9.0.\u0000Results: Of the 614 included patients, 79% were aged 60-69 years, 56.0% were male, and 73% were prescribed ≥ five medications. DRPs were identified in 75.2% of patients, primarily related to treatment effectiveness (27.19%) and treatment safety (53.42%). Causes included inappropriate monitoring (14.5%), improper drug combinations (51.79%), excessive drug dosage (16.61%), and inadequate drug dosage (13.51%).\u0000Conclusion: The high frequency of DRPs, specifically concerning treatment effectiveness and safety, highlights the need for enhanced monitoring and prescribing procedures, contributing to preventing and treating future DRPs in the elderly population.","PeriodicalId":19944,"journal":{"name":"Pharmacy Education","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141041599","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":"Analysis of cost of illness and diagnosis-related group payment system in breast cancer patients with chemotherapy in Indonesia","authors":"D. Ratri, Annisa Arifatul Fitriyah, Midfa’ul Haawan Fitayaatin Mawaddah, Budi Suprapti, Pradana Zaky Romadhon, Samirah","doi":"10.46542/pe.2024.243.147152","DOIUrl":"https://doi.org/10.46542/pe.2024.243.147152","url":null,"abstract":"Background: Often, breast cancer patients undergoing chemotherapy sacrifice their finances, and the financial costs also affect the government.\u0000Objective: This study aims to analyse the cost of illness and the application of an insurance payment system among breast cancer patients receiving various chemotherapy regimens.\u0000Method: This study was retrospective and used a bottom-up prevalence approach. Data were collected from a secondary hospital between 2020 and 2021. The inclusion criteria were breast cancer patients undergoing chemotherapy. Patients with incomplete detailed cost data were excluded. The cost of illness was calculated from direct medical costs and the estimated non-medical and indirect costs.\u0000Results: The cost of illness for a chemotherapy visit for a breast cancer patient spanned from USD 130.37 to USD 932.05. However, these values did not include healthcare service costs and laboratory tests. The highest regimentation chemotherapy cost is for the combination of docetaxel–cyclophosphamide–trastuzumab. There was a significant margin between insurance claims and variable medical costs (p < 0,05), ranging between USD 24.21 and 104.83.\u0000Conclusion: The cost of illness for chemotherapy for breast cancer patients is high, and the coverage of the diagnosis-related payment system is limited. Therefore, the government should accelerate prevention programmes to reduce the incidence of cancer.","PeriodicalId":19944,"journal":{"name":"Pharmacy Education","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141033640","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}
Arina Dery Puspitasari, Erika Astanti, Novika Selvia Putri, A. Veterini
{"title":"Evaluation of the effect of aminophylline on inflammatory parameters in COVID-19 patients with acute respiratory distress syndrome","authors":"Arina Dery Puspitasari, Erika Astanti, Novika Selvia Putri, A. Veterini","doi":"10.46542/pe.2024.243.135140","DOIUrl":"https://doi.org/10.46542/pe.2024.243.135140","url":null,"abstract":"Background: In Acute respiratory distress syndrome (ARDS), invasion and activation of pro- and anti-inflammatory mediators and cytokines result in oxidative damage to the lung tissue. Aminophylline is a combination of theophylline and ethyl diamine, has anti-inflammatory, bronchodilator, ROS inhibitor effects, and stimulates surfactant release. Mortality of ARDS in COVID-19 patients is high; aminophylline is expected to reduce the incidence of mortality. Information regarding the use of aminophylline in COVID-19 patients with ARDS is still limited.\u0000Objective: To evaluate the efficacy of aminophylline in inflammatory parameters in COVID-19 patients with ARDS.\u0000Methods: It was a retrospective cohort observational study at the Universitas Airlangga Hospital. Samples were hospitalised COVID-19 patients with ARDS who received a loading dose of 240-480 mg and a maintenance dose of 720-960 mg aminophylline. The primary outcomes were improved C-reactive protein (CRP), IL-6, lymphocytes, neutrophils, and Neutrophil-lymphocyte ratio (NLR), which were measured before and after administration of aminophylline with a duration of therapy of 1-5 days.\u0000Result: A total of 50 patients with ARDS were enrolled in the study. Lymphocyte and CRP decreased (p = 0.002; p = 0.128). IL-6, neutrophil, and NLR increased (p = 0.255; p = 0.064; p = 0.005).\u0000Conclusion: It can be concluded that the administration of aminophylline has not improved inflammatory parameters.","PeriodicalId":19944,"journal":{"name":"Pharmacy Education","volume":null,"pages":null},"PeriodicalIF":0.5,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141032943","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}