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Ade Arsianti
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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 5 Documents
 1 
Search results for , issue "Vol. 3, No. 2" : 5 Documents clear
Pathogenesis, Diagnosis, and Examination of Corynebacterium diphtheriae Ningsih, Ika; Safrullah, Muhammad Iqbal
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 3, No. 2
Publisher : UI Scholars Hub

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Abstract

Corynebacterium diphtheriae is a rod-shaped bacterium, Gram-positive (purple), growth requires the presence of oxygen or can live with oxygen or without oxygen, nonmotile, non-capsular, non-sporing, catalase positive. Most species ferment carbohydrates such as fructose, galactose, glucose, maltose, and mannose and produce an exotoxin called diphtheria toxin (DT) which can cause diphtheria, a respiratory infection characterized by sore throat and the production of a thick layer / gray pseudomembrane and generally affects children aged 15 years and under and is very vulnerable in people who are not immunized and in low immune systems. Diphtheria is a dangerous and life-threatening disease if not detected early, so clinical diagnosis must be made immediately. Therefore, clinical diagnosis methods must be supported by laboratory examinations to detect the bacteria. Examinations that can be performed for the diagnosis of bacteria of the genus Corynebacterium include culture examination on growth media, toxicity test/toxin identification, serology test, histology examination and imaging test, biomarker test, and PCR (Polymerase Chain-Reaction) test.
In Silico Analysis of CD40 Mutations and Their Implications for Quinoline-benzoic acid derivatives Based Therapy in Graves' Disease Yunaini, Luluk; Kristanty, Diyah; Sari, Puji; Dwira, Surya; Suryandari, Dwi Anita; Bustami, Arleni
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 3, No. 2
Publisher : UI Scholars Hub

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Abstract

Graves' disease is an autoimmune disorder in which the CD40-CD154 interaction plays a critical role in T-cell activation. In this study, in silico methods were employed to analyze the binding interactions of quinoline-benzoic acid derivatives (NSB, FSB, and NQB) with the CD40 receptor and to investigate the implications of specific CD40 mutations for drug efficacy. In this reseach conducted by molecular simulation approach with molecular docking Results Mutation analysis of CD40 identified alterations in key residues, such as R203C, which may impact ligand-independent activation and downstream TRAF binding, crucial for signal transduction. These findings highlight the therapeutic potential of quinoline-benzoic acid derivatives for targeting CD40 in Graves' disease, particularly in the context of receptor mutations. The integration of molecular docking, mutation analysis, and pharmacokinetic profiling provides a comprehensive framework for designing effective CD40-targeted therapies.
Phytochemistry, Antioxidant and Cytotoxic Activities of Hibiscus (Hibiscus Rosa-Sinensis) Extract on MCF-7 Breast Cancer Cells Arsianti, Ade; Suhaima, Isma Zahira; Gill, Steven; Fajrin, Ajeng Megawati; Nadapdap, Lince Dameria; Azizah, Norma Nur; Tanimoto, Hiroki; Hirota, Shun
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 3, No. 2
Publisher : UI Scholars Hub

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Abstract

Background: Breast cancer is the most common type of cancer in women with a very high mortality rate. This cancer is caused by uncontrolled growth of breast cells. Treatments for this malignancy are surgery, chemotherapy, and radiotherapy, however those methods can cause adverse effects and quite expensive. Complementary and alternative medicines (CAMs) are also used to support those main treatments, one of them is herbal medicine. Hibiscus rosa-sinensis is known to have various phytochemical components with antioxidant, antibacterial, anticancer, and analgesic activities. This study is aimed to determine the phytochemical composition, antioxidant activity and cytotoxicity of Hibiscus rosa-sinensis extract towards MCF-7 breast cancer cells. Method: Dried Hibiscus rosa-sinensis was milled to a powder, subsequently extracted by multilevel maceration method using n-hexane, ethyl acetate and ethanol as solvents. Phytochemical components were analyzed by phytochemistry test and thin layer chromatography (TLC). Antioxidant activity was determined using DPPH method, whereas cytotoxic activity towards MCF-7 breast cancer cells was evaluated by MTT assay. Results: Hibiscus rosa-sinensis were proved to contain triterpenoids in all extracts, alkaloids in n-hexane and ethyl acetate extracts, flavonoids and tannins in ethyl acetate and ethanol extracts, and steroids in n-hexane extract. TLC analysis showed n-hexane extract contains 8 phytochemical compounds, ethyl acetate contains 6 compounds, and ethanol extract contains 2 phytochemical compounds. Antioxidant activity of Hibiscus rosa-sinensis extracts towards DPPH free radicals were highly active with IC50 value of 1.56 µg/mL for ethyl acetate extract and 42.30 µg/mL for ethanol extract. Cytotoxicity of ethyl acetate extract of Hibiscus rosa-sinensis towards MCF-7 breast cancer cells was moderately active with IC50 value of 79.37 µg/mL. IC50 value of n-hexane and ethanol extracts were 125.23 µg/mL and 210.77 µg/mL, respectively, in which both were categorized in weakly active. Conclusion: Hibiscus rosa-sinensis contains several phytochemical components which showed highly active antioxidant activity towards DPPH free radicals and moderate-to-weak cytotoxic activity towards MCF-7 breast cancer cells.
Analysis of Differentially Expressed Genes (DEG) and Upstream Regulator Proteins Indicates That Inhibition of Transforming Growth Factor Beta 1 (TGFB1) is A Potential Target for Acne Inversa Veranita, Weri; Fauziah, Siva; Nurbaya, Siti
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 3, No. 2
Publisher : UI Scholars Hub

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Abstract

Acne inversa (AI) is a chronic inflammatory skin disease characterized by painful nodules, abscesses, and scarring, primarily in intertriginous areas. This study aims to identify potential therapeutic targets for managing acne inversa based on the analysis of differentially expressed genes (DEG). The expression targets of these genes were then validated for their potential as biomarkers, and upstream regulator proteins (URPs) were identified from the resulting DEG. DEG analysis on the GEO dataset GSE122592 (acne inversa vs. healthy donor skin) revealed five DEG that can serve as biomarkers for acne inversa, with a sensitivity and specificity of (100%). These DEG—IL10, GZMB, FASLG, PRF1, and HLA-DPB10—are genes associated with autoimmune thyroiditis (AIT). AIT has previously been significantly linked to acne vulgaris. URP analysis indicates that inhibition of Transforming Growth Factor Beta 1 (TGFB1) is a therapeutic target that could be used to downregulate these five DEGs, returning their expression to healthy skin levels.
Analysis of Differentially Expressed Genes (DEGS) Related to Interleukin-17 Signaling for Biomarker Identification and Therapeutic Targets in Atopic Eczema Fauziah, Siva; Veranita, Weri; Nurbaya, Siti; Sari, Puji
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 3, No. 2
Publisher : UI Scholars Hub

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Abstract

Atopic eczema, also known as atopic dermatitis, is a chronic inflammatory skin condition characterized by itchy, red, and swollen skin. It is often associated with other atopic diseases such as asthma and hay fever. Interleukin-17 (IL-17), a pro-inflammatory cytokine, plays a crucial role in various inflammatory and autoimmune conditions, including atopic eczema. This study aims to identify potential therapeutic targets for managing atopic eczema based on the analysis of differentially expressed genes (DEGs). The expression of these gene targets was subsequently validated for their potential as biomarkers. Additionally, upstream regulator protein (URP) searches for the resulting DEGs were conducted. DEG analysis of the Gene Expression Omnibus (GEO) dataset, GSE6012 (atopic eczema vs. healthy donor skin), revealed that genes related to IL-17 signaling—FOSL1, MMP1, DEFB4B, S100A7, S100A8, and S100A9—can serve as biomarkers for atopic eczema with sensitivity and specificity values of 1.000. URP analysis suggested that inhibition of IL1A and NOG, as well as TGFB1 activity, are potential therapeutic targets to downregulate these six DEGs, thereby restoring their expression to the levels observed in healthy skin.

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