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All Journal Indonesian Journal of Cancer Chemoprevention Journal of Islamic Pharmacy Journal of Islamic Medicine FITOFARMAKA: Jurnal Ilmiah Farmasi
Tanaya Jati Dharma Dewi
Universitas Islam Negeri Maulana Malik Ibrahim Malang
Biochemistry, Genetics & Molecular Biology Chemistry Immunology & microbiology Medicine & Pharmacology Public Health

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Inhibition of Human Epidermal Growth Factor Receptor-2 (HER-2) from Pomelo (Citrus maxima) Flavonoid Compounds: an In Silico Approach Roihatul Mutiah; Tanaya Jati Dharma Dewi; Arief Suryadinata; Kesimira Qonita
Indonesian Journal of Cancer Chemoprevention Vol 12, No 3 (2021)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev12iss3pp148-160

Abstract

Citrus maxima or pomelo is a plant that has potential as an anticancer because it contains flavonoids. One of the targets of breast anticancer receptors is the HER-2 protein. This research aims to determine the anticancer activity, the toxicity of the compound, and the prediction of physicochemical properties of flavonoids contained in Citrus maxima through in silico approach. Flavonoid compounds were screened using SwissADME with Lipinski's rule of five, Torsion, TPSA, and P-Gp Non-Substrate. Compounds that passed the screening were carried out molecular docking to the HER-2 receptor (PDB ID: 3PP0) using the Molegro Virtual Docker (MVD). The HER-2 receptor (GDP ID: 3PP0) was declared valid because it had RMSD<2Å. The results showed that there were 11 flavonoid compounds that passed the screening and had a lower rerank score than the comparison compound Trastuzumab. Toxicity was predicted using the Protox II online tool and the results showed that the flavonoid compounds were in the safe limits, namely classes 5 and 3. Based on this research, it can be concluded that acacetin, diosmetin, honyucitrin, isosinensetin, nobiletin, sinensetin, and tangeretin can be candidates for breast cancer drugs based on natural ingredients.Keywords: breast cancer, Citrus maxima, HER-2, in silico.
Standardization of Semanggi (Marsilea crenata C. Presl.) Leaves from Benowo District, Surabaya for Standardized Herbal Raw Material Burhan Ma&#039;arif; Almay Abidzar Elpasha; Arief Suryadinata; Tanaya Jati Dharma Dewi; Novia Maulina; Mangestuti Agil
FITOFARMAKA: JURNAL ILMIAH FARMASI Vol 13, No 1 (2023): FITOFARMAKA: Jurnal Ilmiah Farmasi
Publisher : Universitas Pakuan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33751/jf.v13i1.7459

Abstract

Semanggi (Marsilea crenata C. Presl.) is a unique plant that grows in East Java, Indonesia. Its leaves are widely used as ingredients for traditional food. Semanggi leaves contain phytoestrogen compounds that can be used for their antineuroinflammatory, antiosteoporosis, and antioxidant properties. This effect is believed to be caused by kaempferol as an active marker. This study aims to determine the specific and non-specific parameters of semanggi leaves from Benowo District of Surabaya. The standardization results for specific parameters revealed the macroscopic characteristics of the leaves in radius ± 2 cm, pale green to yellowish-green color, smooth surface, obdeltoid shape, and four leaves. The microscopic features are stomata on the epidermis, crystal sand calcium oxalate, bone leaves with vascular bundle, and no space between the epidermis. The organoleptic characteristics are yellowish-green color, tasteless, astringent smell. The physicochemical of water-soluble content result was 7.4566 ± 0.1173% and soluble ethanol was 7.7466 ± 0.4083%. The phytochemical positive test results for the identification of alkaloids, flavonoids, and terpenoids. Based on UHPLC-HRMS analysis, semanggi leaves contain 0,41% kaempferol with a retention time of 6.88 ± 0.2 minute. The results for non-specific parameters indicated that the content of total ash, acid-insoluble ash, moisture, and drying shrinkage content was 0.8136 ± 0.0171%; 7.9700 ± 0.1044%; 6.2547 ± 0.2864%; and 9.0936 ± 0.1305% respectively. The results indicate that the semanggi leaves sample have been assessed and found to meet the established standards.
Studi In Silico Senyawa Alkaloid dari Daun Sirsak (Annona muricata L.) Sebagai Inhibitor Angiotensin Converting Enzyme (ACE) Dewi, Tanaya Jati Dharma; Ariqoh, Salma Shafira; Wafi, Abdul
Journal of Islamic Pharmacy Vol 8, No 2 (2023): 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.v8i2.24829

Abstract

Hipertensi yang juga disebut sebagai penyakit tekanan darah tinggi merupakan peristiwa dimana terjadi peningkatan darah di dalam pembuluh darah arteri. Daun sirsak atau (Annona muricata L.) merupakan salah satu tumbuhan yang dipercaya memiliki potensi sebagai antihipertensi dengan terkandungnya senyawa alkaloid di dalamnya. Salah satu protein target dalam tubuh yang berhubungan dengan penyakit hipertensi adalah Angiotensin Converting Enzyme (ACE). Penelitian ini bertujuan untuk mengetahui prediksi aktivitas sebagai inhibitor ACE, prediksi fisikokimia, dan prediksi toksisitas dari senyawa alkaloid dari daun sirsak (Annona muricata L) secara in silico. Prediksi fisikokimia dilakukan dengan menggunakan aplikasi SwissADME dengan parameter hukum lima Lipinski. Senyawa alkaloid diketahui memenuhi parameter. Prediksi toksisitas dilakukan dengan menggunakan software Protox II online tool dan pkCSM online tool yang mengacu pada LD50 dan klasifikasi kelas toksisitas digolongkan menurut GHS, ames toxicity dan hepatotoxicity. Terdapat dua belas senyawa yang termasuk ke dalam kelas 4 (berbahaya bila tertelan yaitu 300
In Silico Study of Curcuminoid Compounds in Turmeric ( Curcuma longa) Plants as Halal Anticoagulant Active Ingredients Dewi, Tanaya Jati Dharma; Sya'bana, Mohammad Mohammad Ihda Faiz; Wafi, Abdul; Ma’arif, Burhan; Muchlasi, Luthfi Ahmad
Journal of Islamic Medicine Vol 7, No 2 (2023): JOURNAL OF ISLAMIC MEDICINE EDISI SEPTEMBER 2023
Publisher : Faculty of Medicine and Health Science, Universitas Islam Negeri Maulana Malik Ibrahim

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18860/jim.v7i2.24568

Abstract

Background:  Thrombosis is a condition when there is a reduction in the flow of blood fluid in the blood vessels that occurs due to the process of forming blood clots. One of the drugs most often used as an anticoagulant is enoxaparin. Enoxaparin itself is obtained by depolymerizing the base of heparin benzyl ester which is derived directly from the intestinal mucosa of pigs so that its use triggers a lot of controversy by Muslims. The mechanism of action of enoxaparin is to act as an antithrombin III catalyst which functions to inhibit the formation of blood clots by factor X. The curcumin compound in turmeric is known to have the ability as an anticoagulant drug by inhibiting the formation of factor Xa by factor X. Objectif :This study aims to predict physicochemical properties, predict toxicity, and predict the antiviral activity of 8 curcumin-derived compounds in turmeric against antithrombin III receptors (GDP ID: 1R1L) and factor X (GDP ID: 5VOF). Methods :Prediction of physicochemical properties is carried out using the SwissADME application and referring to Lipinski's five laws . Furthermore, the toxicity class was carried out using the pkCSM Online Tool and Protox Online Tool applications. Prediction of the antiviral activity of compounds was carried out using the Molegro Virtual Docker (MVD) application.Results:The results of the LD50 value and the classification of toxicity classes were classified according to GHS. 8 compounds derived from curcumin belong to toxicity classes 4 and 5. Antithrombin III receptors (GDP ID: 1R1L) and factor X (GDP ID: 5VOF were said to be valid because they had RMSD values below 2 Å. Conclusion :The results showed that cyclocurcumin compounds were predicted to have good potential anticoagulant activity.Background:  Thrombosis is a condition when there is a reduction in the flow of blood fluid in the blood vessels that occurs due to the process of forming blood clots. One of the drugs most often used as an anticoagulant is enoxaparin. Enoxaparin itself is obtained by depolymerizing the base of heparin benzyl ester which is derived directly from the intestinal mucosa of pigs so that its use triggers a lot of controversy by Muslims. The mechanism of action of enoxaparin is to act as an antithrombin III catalyst which functions to inhibit the formation of blood clots by factor X. The curcumin compound in turmeric is known to have the ability as an anticoagulant drug by inhibiting the formation of factor Xa by factor X. Objectif :This study aims to predict physicochemical properties, predict toxicity, and predict the antiviral activity of 8 curcumin-derived compounds in turmeric against antithrombin III receptors (GDP ID: 1R1L) and factor X (GDP ID: 5VOF). Methods :Prediction of physicochemical properties is carried out using the SwissADME application and referring to Lipinski's five laws . Furthermore, the toxicity class was carried out using the pkCSM Online Tool and Protox Online Tool applications. Prediction of the antiviral activity of compounds was carried out using the Molegro Virtual Docker (MVD) application.Results:The results of the LD50 value and the classification of toxicity classes were classified according to GHS. 8 compounds derived from curcumin belong to toxicity classes 4 and 5. Antithrombin III receptors (GDP ID: 1R1L) and factor X (GDP ID: 5VOF were said to be valid because they had RMSD values below 2 Å. Conclusion :The results showed that cyclocurcumin compounds were predicted to have good potential anticoagulant activity.
Co-Authors Abdul Wafi, Abdul Almay Abidzar Elpasha Arief Suryadinata Ariqoh, Salma Shafira Burhan Ma&#039;arif Kesimira Qonita Mangestuti Agil Ma’arif, Burhan Muchlasi, Luthfi Ahmad Novia Maulina Roihatul Mutiah Sya'bana, Mohammad Mohammad Ihda Faiz