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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 4 Documents
 1 
Search results for , issue "Vol. 2, No. 2" : 4 Documents clear
A Computational Exploration: Docking Analysis of Compounds from Foeniculum vulgare as Potential Aromatase Inhibitors for Endometriosis Candidate Therapy Suryandari, Dwi Anita; Sari, Puji; Sunaryo, Hadi; Istiadi, Khaerunissa Anbar
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 2, No. 2
Publisher : UI Scholars Hub

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Abstract

Aromatase inhibitors (AI) have controlling symptoms and size of endometriotic implants, making them a promising second-line therapy for endometriosis treatment.pretreatment with letrozole, an AI, combined with leuprolide acetate and resveratrol has been found to improve in vitro fertilization (IVF) outcomes in women mild endometriosis.in this study we screening and analysis of ten phenolic compounds from Foeniculum vulgare using molecular docking with Mcole server.from this results showed that three phenolic trans resveratrol (TR), caempherol coumaril (CC) have low gibbs energy compare with resveratrol (R). The binding modalities of compound TR and compound R were hydrogen-bonding between the hydroxyl and oxygen atom and Thr310 and hydrophobic interactions with Phe187, Ala272, Asp275, Ala189.and compound R exhibited cation-π interactions between Val336 as binding activity from aromatase.aromatase inhibitors and resveratrolfrom fennel lies in the potential of resveratrol to modulate hormonal pathways, including aromatase inhibition.
Basic Structure of the Pharmacophore Virtual Screening Protein 7kg7 for Candidate Therapeutic Options COVID-19 Al Fiqri, Ahmad Ridha
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 2, No. 2
Publisher : UI Scholars Hub

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Abstract

Coronavirus disease (COVID-19) caused by severe acute respiratory syndrome, namely coronaviruses (SARS-CoV-2) has been a pandemic to date and is contagious with relatively high mortality rates. Various efforts have been made to control the pandemic to finding the best solution to reduce the spread such as rapid detection based on molecular and serological, as well as efforts to find the best medicine for COVID-19 patients continue to be carried out. We analyzed and concluded that the presatovir compound is capable of being a substitute for the native protein ligand 7KG7, this is proved with a ΔG value of -13.22 kcal/mol and a constant inhibition value of 202.12 pM smaller than the native ligand. Other compounds such as tipranavir and montelukast with ΔG values of -10.99 and -10.81 kcal/mol as well as constant inhibition values at 11.95 and 8.77 nM also indicate that the three test ligands are better than the native ligands. Another supporting factor of this finding was the fact that test ligands were discovered to possess hydrogen bonds that were either greater than or equivalent to those of the initial ligand. The third test ligand exhibited a promising affinity as a possible substitute for native ligand, however, it is imperative to carefully evaluate and take into account the ADMETOX (Absorption, Distribution, Metabolism, Excretion, and Toxicology) elements before to proceeding with the in-vitro or in-vivo phase.
Phytochemical Screening, Antioxidant Activity, and Cytotoxicity of Ethanol, Ethyl Acetate, and n-Hexane Kluwak (Pangium edule) Extract on MCF-7 Breast Cancer Cells Abidin, Raniindra Khalisha Soediro; Arsianti, Ade
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 2, No. 2
Publisher : UI Scholars Hub

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Abstract

Introduction: Breast cancer occurs quite high and is one of the main causes of death in Indonesia and the world. Current treatment for cancer is expensive and has varying degrees of success and can cause side effects for patients. Kluwak (Pangium edule), whose reseach is still limited has the potential to be used as an alternative treatment for breast cancer. Methods: Kluwak powder was macerated using three different types of solvents to obtain ethanol extract, ethyl acetate extract and n-hexane kluwak extract. Phytochemical tests and thin layer chromatography (TLC) were carried out to determine the type and amount of phytochemical components of kluwak extract. The antioxidant activity of kluwak extract was tested using the DPPH method and the cytotoxic effect on MCF-7 breast cancer cells was determined using the MTT test. Results: The phytochemical components contained in kluwak extract include flavonoids, alkaloids, triterpenoids and glycosides. The ethanol extract of kluwak showed very weak antioxidant activity (IC50 = 26459 µg/ml), while the antioxidant activity of the ethyl acetate and n-hexane extracts could not be determined. Ethyl acetate and n-hexane kluwak extracts also had a moderate cytotoxic effect on MCF-7 breast cancer cells with IC50 values respectively 132.79 µg/ml and 232.93 µg/ml while the ethanol extract had a weak cytotoxic effect with values IC50 667.91 µg/ml.Conclusion: Kluwak (Pangium edule) extract contains phytochemical compounds and cytotoxic effects on MCF-7 breast cancer cells, so it has the potential to be developed as a therapeutic agent in the management of breast cancer.
Phytochemical Assay and in – Vitro Cytotoxicity Assessment of Cassava Peel (Manihot esculenta) from Ethanol and Ethyl Acetate Extract Against Cervical Cancer Cells (HeLa) Soejono, Alice Hari; Dwira, Surya; Sari, Puji
Indonesian Journal of Medical Chemistry and Bioinformatics Vol. 2, No. 2
Publisher : UI Scholars Hub

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Abstract

Introduction: Cervical cancer is a type of cancer that develops in a woman’s cervix. It is a result of HPV (Human Papilloma Virus) and is one of the deadliest types of cancer. Some cervical cancer management including chemotherapy, which until recently continues to develop to cure the condition, is relatively expensive and comes with multiple different side effects. Method: Manihot esculenta undergoes multilevel maceration with the solvent of ethanol and ethyl acetate. This leads to the formation of ethanol extract and ethyl acetate extract of Manihot esculenta that is analyzed through phytochemical assay and thin layer chromatography (TLC) to determine the phytochemical components present. This is then followed by cytotoxicity assessment against Hela cervical cancer cells using MTT test. Result: Manihot esculenta peel contains secondary metabolites including tannin, flavonoid, alkaloid, and triterpenoid. Cytotoxicity activity evaluation for ethanol shows moderate cytotoxicity with IC50 value of 228.26 μg/mL. While ethyl acetate shows active cytotoxicity activity with IC50 value of 56.47 μg/mL. The data distribution of IC50 value of all extracts is normal (p>0.05). There was a statistically insignificant difference in IC50 value between extracts based on one-way ANOVA. Conclusion: Manihot esculenta peel contains phytochemical components that are cytotoxic towards HeLa cervical cancer cells.

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