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All Journal Indonesian Journal of Cancer Chemoprevention Universitas Muhammadiyah Yogyakarta Undergraduate Conference Proceeding
Juniananda, Melisa
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Civil Engineering, Building, Construction & Architecture Economics, Econometrics & Finance Education Medicine & Pharmacology Public Health Social Sciences

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Potency Of Andrographolide, L-Mimosine And Asiaticoside Compound As Antiviral For Covid-19 Based On In Silico Method Ningrum, Dhecella; Aini, Dita; Juniananda, Melisa; Febriansah, Rifki
Proceedings of Universitas Muhammadiyah Yogyakarta Graduate Conference Vol. 2 No. 2 (2023): Strengthening Youth Potential for Sustainable Innovation
Publisher : Universitas Muhammadiyah Yogyakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18196/umygrace.v2i2.418

Abstract

Introduction - COVID-19 is an infectious disease that is a global challenge, making it necessary for innovation and the development of antiviral agents in prevention and treatment efforts. Indonesia is known as a country rich in potential plants as medicine, a potential antiviral plant among them Andrographis paniculata , Mimosa pudica and Centella asiatica. The compound that have antiviral activity in each of these plants are andrographolide (Andrographis paniculata), L-mimosine (Mimosa pudica) and asiaticoside (Centella asiatica). The purpose of this study is to identify the potential of the andrographolide, l-mimosine and asiaticoside to inhibit SARS COV-2 protein and to predict the molecular drug profile which refers to lipinski's rule of 5. Purpose - The purpose of this study was to determine the potential of Andrographis paniculata , Mimosa pudica and Centella asiatica compounds in inhibiting the SARS CoV-2 protein and to determine the prediction of drug profiles such as molecules referring to Lipinski's rule of 5. Methodology - The methods used in this research by molecular docking and lipinski's Ro5 using PKCSM. The control compounds used are favipiravir and remdesivir. Results - The results of the affinity of target protein bonds using molecular docking obtained the best results in NSP3 proteins with An Asiaticoside docking score of -10.1 kcal / mol stronger than favipiravir -5.3 kcal/mol and remdesivir -8.6 kcal/mol. As for the compounds L-mimosine -6.1 kcal / mol and Andrographolide -7.7 kcal / mol. The compounds of andrographolide and L-mimosine showed good results and met the 5 aspects of Lipinski's Ro5, but asiaticoside compounds did not good enough. . Conclusion - The Research has concluded that the compound of the Andrographis paniculata , Mimosa pudica and Centella asiatica have a good potential in inhibiting SARS cov2 protein that is stronger than favipiravir and almost the same with remdesivir activity.
Bioinformatics and Molecular Docking Study of Amentoflavone and 3,8-Biapigenin as Inhibitors on Cervical Cancer Proteins Ningrum, Dhecella Winy Cintya; Kusumaningtyas, Triana Arum; Febriansah, Rifki; Juniananda, Melisa; Tasminatun, Sri; Krisridwany, Annisa
Indonesian Journal of Cancer Chemoprevention Vol 14, No 2 (2023)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev14iss2pp105-116

Abstract

Cervical cancer maintains its second-place ranking for Indonesia's highest number of cancer cases. In 2021, there were 36,633 cases of cervical cancer in Indonesia, with a rising death rate. Commonly, chemotherapy is used to treat cervical cancer and can improve the survival chances of patients, but these therapies imply increased toxicity. Biflavonoid group compounds like amentoflavone and 3,8-Biapigenin have the potential to act as anticancer agents by modulating multiple signaling pathways. This study aims to determine the cervical anticancer potential of amentoflavone and 3,8-Biapigenin based on in silico study. Prediction of anticancer activity in silico using Prediction of Activity Spectra for Active Substances (PASS) online, followed by target protein tracing using STITCH-STRING, then receptor analysis test using Ramachandran plot. A molecular docking test was conducted to determine the binding affinity of the compound with the receptor. Based on the online PASS, the compounds as thought to have low cervical anticancer potential if tested on a laboratory scale. STAT3, EP300, CYP1A1, and AKR1C1 proteins used in this study have met the requirements of a suitable receptor for molecular docking test. The best binding affinity was obtained at the interaction of amentoflavone and STAT3 with a better docking score (-9.3 kcal/mol) than doxorubicin (-7.1 kcal/mol). Overall, the results suggest biflavonoid compounds have the potential to be developed as a chemopreventive agent for cervical cancer.Keywords: bioinformatics, molecular docking, amentoflavone, 3,8-Biapigenin, cervical cancer protein.
In Silico and In Vitro Study Selaginella doederleinii Herb Extract as An Antineoplastic on MCF-7 Cells and Formulation Development of Nano Effervescent Granule Anggraini, Chaessy Yori; Kusumaningtyas, Triana Arum; Juniananda, Melisa; Ningrum, Dhecella Winy Cintya; Febriansah, Rifki; Hermawansyah, Adi
Indonesian Journal of Cancer Chemoprevention Vol 14, No 2 (2023)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev14iss2pp128-138

Abstract

Breast cancer, the leading cause of cancer-related deaths in women with 685,000 deaths in 2020. Exploring natural compounds with minimal side effects has emerged as a potential treatment. However, utilizing natural substances faces challenges, such as poor bioavailability, requiring technologies like nanotechnology to enhance absorption. This study focuses on evaluating Ethanol Extract of Selaginella doederleinii (EESD) as an anticancer against MCF-7, both in silico, in vitro methode and develop a formulation of EESD nanoparticle effervescent granules. This study commenced with extraction, Gas Chromatography-Mass Spectrometry (GC-MS) identification, in silico studies, namely bioinformatics and molecular docking, 3-(4,-5-dimethylthiazo-2-yl)-2,5-diphenyltetrazolium bromide (MTT) Assay tests on MCF-7, and the formulation of nanoparticle preparations. EESD was extracted using the maceration method, resulting in an extract weighing 103.5 grams with a 6.9% yield. GC-MS identified three major compounds—cyclopentadecanoic, 2-hydroxy; hexadecanoic acid; and 9-octadecanoid, methyl ester. Bioinformatics revealed interactions with specific protein targets, and molecular docking indicated hexadecanoic acid's superior binding to TP53, surpassing paclitaxel at -8.7 kcal/mol. This suggests its potential to modulate TP53, impacting P53's role in impeding cancer cell growth. EESD exhibited an IC50 of 215μg/mL, signifying moderate cytotoxicity. In formulating nanoparticle effervescent granules, five formulas were transformed into nanoparticles and underwent organoleptic, pH, granule dissolution, and water content evaluations. Formula I is the formula that best meets the criteria with a pH of 6.55, granule dissolution <5 minutes, and water content <4%. The research results indicate that EESD shows anticancer activity against MCF-7 and this study has successfully developed a formula of nanoparticle from EESD in effervescent granule form.Keywords: Selaginella doederleinii, breast cancer, co-Cemotheraphy, MCF-7 Cell, in silico.
Co-Authors Adi Hermawansyah Aini, Dita Anggraini, Chaessy Yori Krisridwany, Annisa Kusumaningtyas, Triana Arum Ningrum, Dhecella Ningrum, Dhecella Winy Cintya Rifki Febriansah Sri Tasminatun