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Ade Arsianti
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arsi_ade2002@yahoo.com
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ijmcb@ui.ac.id
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INDONESIA
Indonesian Journal of Medical Chemistry and Bioinformatics
Published by Universitas Indonesia
ISSN : -     EISSN : 29633818     DOI : https://doi.org/10.7454/ijmcb
Core Subject : Science,
Chemistry Computer Science & IT
The Indonesian Journal of Medical Chemistry and Bioinformatics (IJMCB) provides a forum for disseminating information on both the theory and the application of in silico, in vitro, and in vivo methods in the analysis and design of molecules, phytochemistry, medicinal chemistry and bioinformatics. Indonesian Journal of Medical Chemistry and Bioinformatics was published by Department of Medical Chemistry, Faculty of Medicine, Universitas Indonesia. This peer-reviewed academic open access journal has its first publish in in August 2022 and formerly publish every March and August. The scope of the journal encompasses papers which report new and original research and applications in the following areas: 1. Phytochemical and Medicinal chemistry (identification of targets, design, synthesis and evaluation of biological target) 2. Bioinformatics (genomic profiling, mutation analysis) 3. Molecular modeling (pharmacophore, molecular docking, molecular dynamic simulation) 4. Protein Modeling 5. Network Pharmacology and protein-protein interaction 6. Genomic 7. Metagenomics
Arjuna Subject : Kedokteran - Kedokteran (Lain-Lain)
Articles 6 Documents
 1 
Search results for , issue "Vol. 2, No. 1" : 6 Documents clear
Single Nucleotide Polymorphisms in Plasmodium falciparum Genes: Their Roles in Antimalarial Drugs Resistance and Recent Detection Strategies Zahra, Raihanny Andrea; Fanshur, Ananda Maulana; Saraswati, Aurelia Maria Prajna; Rahmani, Nurul Inayah
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 2, No. 1
Publisher : UI Scholars Hub

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Abstract

Introduction: Malaria is a serious tropical disease with Plasmodium falciparum as its most well-known causative parasite for producing higher levels of late stage parasites that leads to sequestration in vital organs which could lead to death. There is a growing trend of antimalarial drugs resistance against Plasmodium falciparum. Molecular assessment using polymerase chain reaction could trace the presence of mutation and also determine single-nucleotide polymorphism (SNP) in Plasmodium falciparum genes. This SNP can determine the particular population’s response to antimalarial drugs. Objectives: This study aims to examine the relationship between SNP in Plasmodium falciparum genes and antimalarial drugs resistance. Methods: Literature searches were carried out through various databases which were then collected and analyzed. Result: We identified various SNPs from eleven known genes in Plasmodium falciparum, each SNPs causes a different mechanism which contributes to antimalarial drug resistance. Mechanisms varying from slower drug clearance to drug transport activity alteration. Conclusion: Results from most studies included in this review suggest that SNPs in Plasmodium falciparum genes participate in the resistance against various antimalarial drugs via several mechanisms and may be necessary for parasite survival when stressed.
Serum Metabolomic Profiling for Colorectal Cancer using Machine Learning Sari, Ria Nur Puspa; Hidayati, Diah Balqis Ikfi; Bustami, Arleni
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 2, No. 1
Publisher : UI Scholars Hub

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Background: Colorectal cancer is one of the deadliest diseases with a high prevalence worldwide and is characterized by the appearance of adenomatous polyps in the colon mucosa which are at high risk of developing into colorectal cancer. This study aims to use serum metabolites as promising non-invasive biomarkers for colorectal cancer detection and prognostication. Differences in serum metabolites in patients with adenomatous polyps, colorectal cancer, and healthy controls are considered to be able to support the prognosis of colorectal cancer. Methods: Metabolite dataset is taken from the Metabolomic Workbench. Analysis and validation are carried out in silico using machine learning methods. Results: From a total of 234 samples, 113 metabolites were found and 5 metabolites; histidine, lysine, glyceraldehyde, linolenic acid, and aspartic acid were identified as the most significant in differentiating the sample groups. CTD analysis showed that aspartic acid and histidine are associated with the biological pathways of colorectal cancer progression and significant metabolites are associated with cancer-related phenotypes. Conclusion: The serum metabolites differ in colorectal cancer and healthy control. The significant metabolites can be used as a consideration in selecting colorectal cancer biomarkers, but improvisation is needed to obtain more accurate biomarkers.
Phytochemical Profile and Cervical Anticancer Activity of an In Vitro n-Hexane Extract of Kunto Dewo Fruit (Kigelia pinnata) Peel and Flesh Isbandiputri, Swarnasari Nurandita; Dwira, Surya; kristanty, diyah
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 2, No. 1
Publisher : UI Scholars Hub

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Abstract

Cervical cancer is the fourth highest cancer occurring and causes death in women. Therefore, adequate management is needed to prevent its development. Currently, the treatment has a variety of adverse side effects, so it needs alternative treatments that are supportive and with minimal side effects. One way is to use herbal plants, such as the Kunto Dewo (Kigelia pinnata) plant which is often used as traditional medicine. This plant has antimicrobial and cytotoxic effects on cancer cells. Knowing the phytochemical profile and in-vitro anticancer activity of the n-hexane extract of peel and flesh of Kunto Dewo (Kigelia pinnata) fruit against cervical cancer HeLa cells. The peel and flesh of Kigelia pinnata fruit are macerated in n-hexane solvent then the resulting filtrate is evaporated to become an extract. The extract is used for phytochemical profile, carry out through phytochemical screening, thin layer chromatography, calculation of total phenol, and total flavonoids. The extract was also tested for cytotoxic activity against cervical cancer HeLa cells using MTT assay. The n-hexane extract of the peel and flesh of the kigelia pinnta fruit contains triterpenoids. In TLC analysis, there were found 4 components in the n-hexane extract of Kigelia pinnata fruit peel and 8 components in the n-hexane extract of Kigelia pinnata fruit flesh. The cytotoxic activity of the n-hexane extract of the peel and flesh of Kigelia pinnata fruit is included in the moderately active category. The n-hexane extract of the peel and flesh of the kigelia pinnata fruit has potential as an anti-cervical cancer.
Phytochemical Constituent and Antioxidant Activity Evaluation of Red Seaweed Eucheuma sp. Arsianti, Ade
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 2, No. 1
Publisher : UI Scholars Hub

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Abstract

Oxidative stress is a condition in which there is an imbalance between production of free radicals and protective response via antioxidant system. There are endogenous and exogenous antioxidants, however as age increases, there is a reduction in endogenous antioxidant, thus the search for potential exogenous antioxidants which could be derived from natural resources are needed. Indonesia is a megabiodiversity country which has more than 30,000 species of plants and animals. Red seaweed Eucheuma sp. is one of marine macroalgae species which shows potent biological activities. This study aims to determine the phytochemical constituent and to evaluate the antioxidant activity of red algae Eucheuma sp. Seaweed Eucheuma sp. obtained from Lombok, Nusa Tenggara Barat, Indonesia, were extracted by maceration process using three solvents, n-hexane, ethyl acetate, and ethanol, sequentially. Each extract was analyzed for its phytochemical constituents by phytochemistry screening, thin layer chromatography, total phenolic content, total flavonoid content, and total triterpenoid content. Evaluation of antioxidant activity for ethyl acetate extract and ethanol extract were done using DPPH method. Phytochemical analysis of Eucheuma sp. shows positive result for steroid and triterpenoid. Thin layer chromatography analysis of the Eucheuma sp. extracts showed total of 11 phytochemical constituents. Quantitative analysis revealed that the highest value in ethyl acetate extract, with total phenolic content of 29.57 mg gallic acid equivalent/g extract, total flavonoid content of 0.54 mg quercetin equivalent/g extract, and total triterpenoid content of 1.08 mg ursolic acid equivalent/g extract. Moreover, ethylacetate extract of Eucheuma sp. demonstrated an active antioxidant activity against DPPH free radical with IC50 value of 27.96 µg/mL. Thus, ethylacetate extract of Eucheuma sp. derived from Lombok, Indonesia, has a potential to be developed as a natural antioxidant.
Metabolomic Insights into Tuberculosis: Machine Learning Approaches for Biomarker Identification Khair Akbar, Miftahul; Aulia Rahman, Arief
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 2, No. 1
Publisher : UI Scholars Hub

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Abstract

The lung parenchyma is largely impacted by the infectious condition known as pulmonary tuberculosis (pulmonary TB) when the immune system creates a wall around the germs in the lungs, a tiny, hard bulge known as a tubercle develops, earning the disease the name tuberculosis. Although the majority of TB germs target the lungs, they can also harm other bodily organs. The identification of TB biomarkers, which are crucial for diagnosis, treatment monitoring, risk analysis, and prognosis, has been the subject of extensive research. Differences in metabolites between normal cells and tuberculosis are considered to be able to support the diagnosis of tuberculosis. Metabolite data was taken from the Metabolomic workbench and further identification and prediction were carried out in silico. A total of 44 samples found 69 metabolites which were then carried out further analysis. Found as many as 5 metabolites that play an important role in tuberculosis. Of the 5 metabolites, 2 candidate biomarkers were found which are known to have potential as biomarkers. The candidate biomarkers for these metabolites are trans-3-methyluric acid and nicotinic acid. However, this simulation needs further testing to obtain more accurate biomarkers and support the diagnosis.
In silico Prediction of Sodium-Glucose Co-Transporter-2 (SGLT2) Inhibition Activity by Allium Fistulosum Compound Based on SkelSpheres Molecular Descriptor Heryanto, Rudy; tedjo, aryo; Noor, Dimas
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 2, No. 1
Publisher : UI Scholars Hub

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Abstract

The Sodium-Glucose co-transporter-2 (SGLT2) inhibitor represents a novel agent for the treatment of type 2 diabetes. Drugs of this class function by inhibiting glucose reabsorption in the kidneys, thereby controlling blood glucose levels. It is known that SGLT2 inhibitors activate the AMPK signaling pathway by increasing the expression and activity of AMP-activated protein kinase (AMPK). In vivo tests have demonstrated that ethanolic and aqueous extracts of Welsh onion leaves (Allium fistulosum L) can reduce body weight, liver weight, adipocyte size, and enhance AMP-activated protein kinase (AMPK) expression. In this study, the inhibitory activity (IC50) of compounds within Allium fistulosum against SGLT2 was predicted using the Support Vector Regression (SVR) predictive model and the SkelSpheres descriptor. The results of the predicted IC50 measurements for compounds present in the 70% ethanol extract of Allium fistulosum in silico indicate that 4 tyramine derivatives and 1 decursidate compound exhibit Excellent or Potent inhibitor activity criteria (IC50 < 1 µM). Among these, the four tyramine group compounds are the isomers N-trans-feruloyltyramine and N-cis-feruloyltyramine, as well as the isomers N-trans-feruloyl-3'-methoxytyramine and N-cis-feruloyl-3'-methoxytyramine. The findings of this study suggest that the ability of Allium fistulosum to enhance AMPK expression is possibly achieved through the inhibition of SGLT2.

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