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In Silico Studies on The Potential of Green Tea Catechin Compounds (Camellia sinensis) as Antiviral of SARS CoV-2 Againts Spike Glycoprotein (6LZG) and Main Protease (5R7Y) Futna Naufa; Roihatul Mutiah; Yen Yen Ari Indrawijaya
Journal of Food and Pharmaceutical Sciences Vol 10, No 1 (2022): J.Food.Pharm.Sci
Publisher : Institute for Halal Industry and System (IHIS) Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jfps.3580

Abstract

COVID-19 is a disease caused by SARS CoV-2 by producing structural proteins and non-structural proteins. SARS CoV-2 uses a spike glycoprotein to bind ACE-2 receptors in host cells and uses main protease to replicate. This research aims to screen green tea catechin derivates as an antiviral for SARS CoV-2 through inhibition of spike glycoprotein (6LZG) and main protease (5R7Y). In silico studies carried out are molecular docking, prediction of physicochemical properties, and prediction of toxicity. The potential inhibition was assessed based on binding affinity and interaction of amino acid residues. From the molecular docking process showed that epicatechin and epigallocatechin provide inhibition to spike glycoprotein better than nafamostat indicated by binding affinity of -5.2 kcal/mol and -4.5 kcal/mol, while epigallocatechin gallate and epicatechin gallate provide inhibiton to main protease better than lopinavir with binding affinity of -8.7 kcal/mol and -8.3 kcal/mol. The results of the physicochemical properties prediction showed that only epigallocatechin gallate that did not fulfill five Lipinski's rule. Based on the toxicity class LD50, the derivates of catechin belong to classes 4 and 6. In conclusion, it can be known that epicatechin and epigallocatechin can be developed as an antiviral for SARS CoV-2.
The Activity of Purple Sweet Potato Leaves (Ipomea batatas Ver.) Extract to Calcium Oxalate Concentration of Male Rat (Rattus novergicus) Roihatul Mutiah; Avin Ainur Fitrianingsih; Yen Yen Ari Indrawijaya; Nabila Rahmadani
Majalah Obat Tradisional Vol 25, No 1 (2020)
Publisher : Faculty of Pharmacy, Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/mot.49423

Abstract

Purple sweet potato leaves (Ipomea batatas Ver.) has been proven to have anti-lithiasis effects in vitro in treating kidney stone disease. This is due to the high content of potassium in the leaves. The study aimed to analyze the effect of purple sweet potato leaf extract on kidney stone decay in male white rats induced by ethylene glycol 0.75% and ammonium chloride 2% for 10 days. In this study, 24 mice were divided into 6 groups: normal or without induction group, positive control, negative control, dose group 300 mg/200-gram body weight, 400 mg/200-gram body weight, and 500 mg/200-gram body weight. The parameters observed were calcium levels in the urine tested using Atomic Absorption Spectrophotometry, oxalate levels in urine tested using UV VIS Spectrophotometer. The results of this study indicate that purple sweet potato leaf extract at a dose of 500 mg/200-gram body weight can increase the levels of calcium and oxalate in the urine of rats compared with negative controls.
In Silico Study on the Effect of Heliannuol A, B, C, D, E Compounds of Sunflower (Helianthus annuus L.) on Dual PI3K/mTOR (5OQ4) Enzyme Roihatul Mutiah; Yen Yen Ari Indrawijaya; Tanaya Jati Dharma; Jamilah Damaiyanti
Majalah Obat Tradisional Vol 26, No 1 (2021)
Publisher : Faculty of Pharmacy, Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/mot.57411

Abstract

Heliannuol is a sesquiterpene that has a benzoxepine ring, oxepin. Many derivatives of benzoxepine compounds show anticancer activity by inhibiting the phosphoinositide 3-kinase (PI3K) enzyme. These enzymes play a role in cell proliferation and growth. The study aims to predict the physicochemical properties using Lipinski’s Rule of Five parameters on phosphoinositide 3- kinase (PI3K/Mtor; PDB 5OQ4) enzyme and the toxicity of Heliannuol A, B, C, D, E compounds. The process uses the pkCSM online tool. The validation of receptor 5OQ4 is done using the value parameter RMSD < 2 (Å). Protox online tool dan pkCSM online tool is employed to predict the toxicity using parameter LD50, skin sensitization, Ames toxicity, hepatotoxicity, and toxicity class. The interaction of ligan and enzyme is tested using Molegro Virtual Docker 6.0. Heliannoul A, B, C, D, E compounds fulfill Lipinski’s Rule of Five. The receptor 5OQ4 is known valid using the value of RMSD 0,923 (Å). Heliannuol A, B, C, D, E compounds inhibit Dual PI3K / mTOR enzyme less than Bimiralisib. As a result of the toxicity test of compounds Helliannouls A, B, C, E, and Bimiralisib compounds are included in class 4, while Helliannouls D compounds are included in class 5.
Prediction of Anti-SARS CoV-2 Activity from Green Tea Catechin (Camellia sinensis L. Kuntze) Compound Against To Receptors Non-structural Protein 3 (6W6Y) And Non-structural Protein 5 (6M2N) Roihatul Mutiah; Chamlah Ayatillah; Yen yen Ari Indrawijaya; Arief Suryadinata
Majalah Obat Tradisional Vol 27, No 1 (2022)
Publisher : Faculty of Pharmacy, Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/mot.70124

Abstract

Green tea catechin compounds (Camellia sinensis L. Kuntze) have an antiviral activity such as influenza, hepatitis B, hepatitis C, herpes simplex virus, HIV, and proven in vitro antiviral influenza against NSP5 in SARS CoV. These considerations are used in this study using Non-structural Protein (NSP), namely NSP3 and NSP5 in SARS CoV-2, which have a role in viral replication and transcription. This study aims to predict the physicochemical properties according to the five rules of Lipinski's using swissADME. Prediction of toxicity with LD50 classification using the Protox II online tool. Catechin compound activity based on ligand interaction with NSP3 (PDB ID: 6W6Y) and NSP5 (PDB ID: 6M2N) receptors using Molegro Virtual Docker (MVD) 6.0. The results showed the predictions of physicochemical properties of the (-)-epigallocatechin (EGC), (-)-epicatechin-3-gallate (ECG), and (-)-epicatechin (EC) compounds fulfilled the five rules of Lipinski's. Catechin compounds have toxicity at levels 4 and 6. The activity of catechin compounds on NSP3 (PDB ID: 6W6Y) and NSP5 (PDB ID: 6M2N) receptors indicated that all catechin compounds had inhibitory activity. The best potential activity compound is (-)-epigallocatechin-3-gallate (EGCG) with a rerank score of -102.8200 and -134.1800 Kcal/mol so that EGCG can be recommended as a candidate for the SARS CoV-2 antiviral compound.
Inhibition of Cell Cycle and Induction of Apoptosis y Ethanol Leaves Extract of Chrysanthemum cinerariifolium (Trev.) In T47D Breast Cancer Cells Roihatul Mutiah; Alfiyah Laily Inayatin; Rahmi Annisa; Yen Yen Ari Indrawijaya; Anik Listiyana
Indonesian Journal of Pharmacy Vol 31 No 1, 2020
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjpharm31iss1pp1

Abstract

Chrysanthemum cinerariifolium (C.cinerariifolium) is a plant of the Asteraceae family, which has been applied by the community as an ornamental plant and traditional medicine. In this study, the effect of C. cinerariifolium leaves extract on inhibition of cell cycle and induction of apoptosis in T47D breast cancer cells was tested and compared to the standard chemotherapy agent. The citotoxic activity of C. cinerariifolium leaves extract against T47D cancer cells and Vero normal cells was tested by MTT method. Profile of apoptosis and cell cycle were observed by flow cytometry method. Based on chemical compounds profil which is tested used TLC showed that C.cinerariifolium leaves extracts contained flavonoid and terpenoid chemical compounds. The result of cytotoxic test showed that leaves extract of C. cinerariifolium was able to inhibit the growth of T47D cancer cell at IC50 418.8μg/mL. Doxorubicin, extracted from Streptomyces peucetius used as treatment in several cancers including breast cancer. Doxorubicin could inhibit the growth of T47D cancer cells in 115.1μg/mL. The results of cell cycle analysis showed that the C. cinerariifolium leaves extract inhibited cell cycle in G0-G1 and S phase, whereas doxorubicin was able to inhibit cell cycle in G0-G1 phase but experienced cell accumulation in G2-M phase. The percentage of apoptosis in cycle was showed in M1 (sub G1) and M5 (multinuclear) phase which treatment of C. cinerariifolium leaves extract was higher than doxorubicin. Therefore, C. cinerariifolium leaves extract has potential activity as anticancer agent causes inhibition of cell cycle and induction apoptosis. 
In Silico Prediction of Heliannuol A, B, C, D, and E Compounds on Estrogen Receptor β Agonists Roihatul Mutiah; Alif Firman Firdausy; Yen Yen Ari Indrawijaya; Hibbatullah Hibbbatullah
Indonesian Journal of Cancer Chemoprevention Vol 12, No 1 (2021)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev12iss1pp37-45

Abstract

Heliannuols has a benzoxepine ring that produces anticancer activity by the inhibition mechanism of phosphoinositide 3 kinases (PI3K). Heliannuols are a compound that can be found in the leaves of sunflower (Helianthus annuus L.). The purpose of this study is to predict interactions, toxicity, physicochemical, and pharmacokinetics of Heliannuol A, B, C, D, and E based in silico as candidate anticancer drugs. Estrogen receptor beta (ERβ) is a new potential therapy for glioma with an antiproliferative effect. Ligands agonist ERβ have the potential activity to inhibit the proliferation of glioma cells and the discovery of this ligand has opened new therapy through the ERβ to prolong survival in cancer patients. Prediction of physicochemical properties based on Lipinski rules and penetrate in the blood-brain barrier. Receptor validation shows that 2I0G(A) has a smaller RMSD value than 2I0G(B), receptor validation is valid if the RMSD value less than 2. The result of molecular docking shows that Heliannuols comply with Lipinski rules and have low toxicity. Heliannuols also have a similar amino acid with Erteberel, but the rerank score of Erteberel still lower than Heliannuols.Keywords: Helianthus annuus, Heliannuols, estrogen receptor β (ERβ), in silico, toxicity.
Exposure of Murattal Al-Quran Audio Enhances Cisplatin Activity on Growth Inhibition and Cell Cycle Modulation on Hela Cells Roihatul Mutiah; Muhammad Ragib Mustofa; Yen Yen Ari Indrawijaya; Abdul Hakim; Rahmi Annisa; Nurlaili Susanti; Ach Nashichuddin; Muhammad Zainuddin
Indonesian Journal of Cancer Chemoprevention Vol 10, No 2 (2019)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev10iss2pp71-79

Abstract

Cancer is a disease characterized by abnormal cell mechanisms. The development of alternative cancer treatments is still needed. One of them is the music therapy. The music therapy uses sound vibrations to improve healing. Al-Quran, the Holy book of muslims, recites with measured recitation produces beautiful tones. Reading and recitating of Al-Quran is an important form of worship for which a Muslim can expect reward and benefit in the Hereafter. Al-Fatihah is one of surahs in Al-Qur'an that is often read by Muslims and used as a prayer for healing. The purpose of this study was to determine the effect of cytotoxic activity and cell cycle modulation on Hela cells with exposure of murattal Al-Quran and cisplatin combination. Audio exposure murattal Al-Fatihah and its combination with cisplatin to HeLa cells were tested using the MTT method assay. Induction of apoptosis and modulation of cell cycle evaluated by flow cytometry method. Treatment used 30 minutes Audio Murattal (AM), Cisplatin 10 µg/mL (Cis), and the combination of AM + Cis caused a decrease in the viability of HeLa cells respectively 80.14%, 69.86%, and 64.32%. The results of flow cytometry explained that in treatment of AM there was inhibition in the G2-M phase and induction of apoptosis in the M5 phase. Whereas in treatment AM + Cis inhibition occurs in the S, G2-M phase, and induction of apoptosis in the M5 phase. Audio Murattal Al-Quran presents cytotoxic effects on HeLa cells and to provide a synergistic impact on cisplatin so that disclosure therapy murattal can be recommended for supporting therapy in the treatment of cancer (supportive therapy).Keywords: Al-Quran, Audio murottal, HeLa Cells, Cell Viability, Flow cytometry
In Silico Prediction of Isoliquiritigenin and Oxyresveratrol Compounds to BCL-2 dan VEGF-2 Receptors Roihatul Mutiah; Muhammad Fawaz Hariz; Yen Yen Ari Indrawijaya; Burhan Ma&#039;arif
Indonesian Journal of Cancer Chemoprevention Vol 10, No 2 (2019)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev10iss2pp51-59

Abstract

Isoliquiritigenin and oxyresveratrol are compounds that have been reported to have anticancer activities. This study aimed to predict cytotoxic activity, toxicity and physicochemical properties of the compounds isoliquiritigenin and oxyresveratrol. Prediction of physicochemical properties referred to Lipinski rules of five using the pkCSM online tool. Prediction of compounds toxicity using Protox II online tool while ligand interaction with receptors using Molegro Virtual Docker (MVD). Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) (PDB: 2RL5) and B Cell Lymphoma BCL-2 (PDB: 4AQ3) were used as target cancer receptor proteins. In silico predictive results showed that oxyresveratrol and isoliquiritigenin complied with Lipinski rules of five, predictive values of LD50 between 500-2000 mg/kg respectively 1560 mg/kg and 1048 mg/kg. The docking result was in the form of bound energy described by Rerank Score (RS). A compound having a small RS value was predicted to have greater activity. RS of oxyresveratrol on 2RL5: -73.0413 and 4AQ3: -87.9985, while isoliquiritigenin on 2RL5: -68.0282 and 4AQ3: -78.5041. The cytotoxic activity of oxyresveratrol was also shown by hydrogen bonds in active amino acids (2RL5: Cys 919 in 4AQ3: Tyr 67). From docking results of both compounds, oxyreveratrol had greater activity than isoliquiritigenin to both target cancer receptor proteins and complied Lipinski rules of five and have a low toxicity.Keywords: cytotoxicity, toxicity, isoliquiritigenin, oxyresveratrol, in silico.
Induction of Helianthus annuus Leaves Extract to HeLa cell Apoptosis and Cell Cycle Arrest in S, G2-M and M5 Phase Roihatul Mutiah; Jauza Ulfah; Muhammad Firman Amrulloh; Arief Suryadinata; Yen Yen Ari Indrawijaya; Ana Rahmawati
Indonesian Journal of Cancer Chemoprevention Vol 13, No 1 (2022)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev13iss1pp1-11

Abstract

Helianthus annuus L. (H. annuus) is a potential medicinal plant for cancer therapy. The aims of this study is to identify profile the anticancer activity of H. annuus L. from its leaves, root, stem, and seed as well as to elucidate the apoptosis and cell cycle of the leaves. Ten-gram sample of the powder were extracted by using Ultrasound-Assisted Extraction (UAE) with 200 ml of 96% ethanol by comparison of 1:20 with three times replications. The determination of anticancer activity was used the MTT cell proliferation assay, while apoptosis test and cell cycle were applied with the flowcytometry test. The value of IC50 in 96% ethanol extract in the root and stem was >1,000 μg/mL; seed and leaves were 153.76 μg/mL; and 126.6 μg/mL, respectively. The apoptosis induction of H. annuus leaves extract treatment was 7.17% of apoptosis cells; 90.44% of necrosis, and 2.39% of living cells. The H. annuus leaves extract also significantly caused a decrease of cell percentage in G0-G1 phase (p<0.001) and an increase in G2-M phase (p<0.001). The H. annuus leaves extract had greater potential as anticancer instead of other parts. The adding of H. annuus leaves extract increased the HeLa cell apoptosis, decreased percentage of HeLa cells in G0-G1 phase, and increased percentage of HeLa cells in G2-M phase. Cell cycle mechanism test showed cell cycle arrest in S, G2-M, and M5 phase in 24 h, hence inhibited the mitosis process.Keywords: anticancer, Helianthus annuus L, apoptosis, cell cycle.
Pengetahuan dan Perilaku Penggunaan Bawang Putih (Allium sativum) pada Masyarakat di Kelurahan Karang Agung Kalimantan Utara selama Pandemi Covid-19 Dina Puspa Melianti; Yen Yen Ari Indrawijaya; Ria Ramadhani Dwi Atmaja
Journal of Islamic Pharmacy Vol 7, No 1 (2022): J. Islamic Pharm.
Publisher : Universitas Islam Negeri Maulana Malik Ibrahim Malang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18860/jip.v7i1.14819

Abstract

Seluruh dunia saat ini sedang mengalami wabah corona virus yang merupakan penyakit pandemik disebabkan virus corona jenis baru yang menimbulkan masalah gangguan pernafasan akut hingga kematian. Keadaan menyebabkan kecemasan pada masayarakat kelurahan Karang Agung, Kec. Tanjung Palas Utara, Kab. Bulungan Kalimantan Utara sehingga masyarakat enggan memeriksakan diri ke rumah sakit saat mulai mengalami gejala. Adanya informasi bahwa bawang putih (Allium sativum) dapat mencegah Covid-19 menyebabkan masyarakat memilih untuk menangani sendiri dengan mengkomsumsinya. Beberapa penelitian menyatakan bahwa bawang putih (Allium sativum) belum terbukti secara invitro dapat menyembuhkan Covid-19, tetapi bawang putih memiliki manfaat sebagai antibiotik alami. Didalam bawang putih (Allium sativum)  terdapat senyawa organosulfur (Allin Allicin) serta flavonoid (quercetin) memiliki efek sebagai imunomodulator. Tujuan penelitian ini untuk mengetahui gambaran tingkat pengetahuan dan perilaku penggunaan bawang putih selama pandemi Covid-19. Jenis penelitian ini kuantitatif deskriptif. Pengambilan sampel menggunakan teknik cluster random sampling dengan rumus Slovin dengan hasil sampel minimal dari 1.010 populasi  pada margin error 5% sebesar 287. Hasil penelitian menunjukkan tingkat pengetahuan Covid sebagian besar dalam kriteria cukup dengan persentase sebesar 66% dan tingkat pengetahuan bawang putih sebagian besar dalam kriteria cukup dengan persentase sebesar 71%. Sedangkan Tingkat perilaku penggunaan sebagian besar dalam kriteria baik dengan persentase sebesar 53%.