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In Silico Analysis of Bioactive Compounds in Red Betel Leaves to Glutathion Peroxidase Activity Mutmainnah Agustiawan Umar; Mega Safithri; Rahadian Pratama
Indonesian Journal of Applied Research (IJAR) Vol. 3 No. 3 (2022): Indonesian Journal of Applied Research (IJAR)
Publisher : Universitas Djuanda

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30997/ijar.v3i3.227

Abstract

Glutathione peroxidase (GPx) is one of the antioxidants that acts as a protector of organisms from oxidative stress. Several compounds in certain plants have been shown to increase GPx activity. Red betel leaves are known to contain antioxidant compounds that have the potential to increase GPx activity. This study aims to see the potential of red betel compound as an activator of the enzyme glutathione peroxidase. As many as 44 red betel leaves active compounds which were tested by in silico method started with receptor and ligand preparation, followed by grid box determination, then proceeded to virtual screening and molecular docking. The virtual screening stage eliminated 7 compounds and in Lipinski test stage there were 2 compounds that were eliminated, also the AdmetSAR test eliminated 21 sompunds, so that there were 14 compounds continued to the file preparation stage, molecular docking and analysis of ligand-receptor interactions. The parameters of affinity energy and percentage of binding site similarity (%BSS) used in the molecular docking analysis showed that there are several compounds that have the potential as antioxidant compounds by increasing the performance of the glutathione peroxidase enzyme, the best compound identified is guanidine tartrate with an affinity energy of -4.8 Kcal/mol and BSS percentage of 62.5%, this compound is also considered safe to be consumed based on its physicochemical and toxicity test.
Penambatan Molekuler Senyawa Aktif Sirih Merah (Piper crocatum) pada Butirilkolinesterase sebagai Kandidat Antialzheimer Rahmadi Ganesha Putri; Mega Safithri; Husnawati Husnawati; Rini Kurniasih
ALCHEMY Jurnal Penelitian Kimia Vol 19, No 1 (2023): March
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.19.1.59676.68-85

Abstract

Alzheimer adalah salah satu penyakit neurodegeneratif kronis dan menjadi penyakit yang sering dialami oleh orang lanjut usia. Perubahan yang terjadi dari penyakit Alzheimer, yakni penurunan fungsi kognitif, memori, dan perubahan perilaku secara permanen. Senyawa aktif pada daun sirih merah memiliki kesamaan kandungan dengan daun sirih hijau untuk menghambat butirilkolinesterase (BChE). Butirilkolinesterase adalah salah satu enzim yang berperan dalam penanganan penyakit Alzheimer dikaitkan dengan terbentuknya Alzheimer, yakni hipotesis kolinergik. Penelitian dilakukan menguji daya inhibisi senyawa aktif yang terkandung dalam daun sirih merah terhadap aktivitas butirilkolinesterase melalui pendekatan simulasi penambatan molekuler. Penelitian menggunakan dua metode, yakni penggabungan penapisan virtual dan penambatan molekuler sebagai tahapan awal pengembangan daun sirih merah terhadap aktivitas penghambatan butirilkolinesterase. Hasil dalam penelitian diperoleh, daya inhibisi terbaik ditemukan pada 1,2,3,4,5,6,7-heptazacycloicosane sebesar 0,4888 µM dan energi bebas pengikatan sebesar -8,6 kkal∙mol-1. Residu yang berperan dalam menghambat butirilkolinesterase, yakni pada pengikatan substrat oleh ligan uji, yakni Tyr-332 dan Trp-82. Hasil penelitian ini dapat dijadikan sebagai sumber referensi dalam menemukan alternatif pengobatan penyakit Alzheimer. Molecular Docking of the Active Compound of Red Betel (Piper crocatum) on Butyrylcholinesterase as an Antialzheimer's Candidate. Alzheimer's is a chronic neurodegenerative disease often experienced by the elderly. Changes that occur from Alzheimer's disease such as permanent decline in cognitive function, memory, and behavioral changes. The active compounds in red betel leaves have similar contents with green betel leaves to inhibit butyrylcholinesterase (BChE). Butyrylcholinesterase is an enzyme that may play an important role in the treatment of Alzheimer's disease associated with the formation of Alzheimer's, the cholinergic hypothesis. The study tested the inhibition power of the active compounds contained in red betel leaves against the activity of butyrylcholinesterase through a molecular docking simulation approach. The method in the study used the merger of virtual screening and molecular docking as the initial stage for the development of red betel leaves against the inhibitory activity of butyrylcholinesterase. The result in the study found the best inhibitiron power was found at 1,2,3,4,5,6,7-heptazacycloicosane of 0.4888 µM and binding free energy of -8.6 kkal∙mol-1. The residues that play a role in the inhibition of butyrylcholinesterase on substrate binding by test ligands were Tyr-332 and Trp-82. The research result can be used as a reference in finding alternative treatments for Alzheimer's disease. 
IDENTIFIKASI SENYAWA PADA BATANG KROKOT (Portulaca oleracea L.) DAN POTENSINYA SEBAGAI AKTIVATOR SUPEROKSIDA DISMUTASE IN SILICO Cika Hilda Fransiski; Djarot Sasongko Hami Seno; Mega Safithri
Jurnal Farmamedika (Pharmamedika Journal) Vol 8 No 1 (2023): Jurnal Farmamedika (Pharmamedica Journal)
Publisher : Sekolah Tinggi Teknologi Industri dan Farmasi Bogor

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47219/ath.v8i1.197

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Superoksida dismutase (SOD) merupakan enzim yang berfungsi sebagai antioksidan dalam tubuh. Antioksidan dapat menangkal radikal bebas yang ada dalam tubuh. Krokot merupakan bahan alternatif yang telah terbukti memiliki sifat antioksidan, namun belum diketahui apakah batang krokot dapat meningkatkan aktivitas SOD dan jenis senyawa yang berperan dalam meningkatkan aktivitas tersebut. Penelitian ini bertujuan mengetahui potensi batang krokot terhadap aktivitas SOD dan jenis senyawa pada batang krokot yang berperan dalam meningkatkan aktivitas tersebut melalui penambatan molekuler terhadap reseptor SOD PDB ID 1CB4. Penelitian ini dilakukan dengan mengidentifikasi senyawa pada batang krokot menggunakan LC-MS/MS QTOF, kemudian memprediksi bioavailabilitas dan toksisitasnya, dan dilanjutkan dengan penambatan molekuler. Hasil penambatan molekuler diidentifikasi melalui parameter energi bebas Gibbs (∆G), konstanta disosiasi (Kd), dan residu yang berikatan antara reseptor dengan ligan. Xanthosine memiliki potensi terbaik dalam meningkatkan aktivitas SOD dengan nilai (∆G) sebesar -7.00 kkal/mol dan Kd sebesar 7.37 µM. Selain itu, hasil identifikasi residu yang berikatan antara reseptor dengan ligan menunjukkan bahwa xanthosine terikat pada situs aktivator alosterik enzim. Simpulan penelitian ini adalah batang krokot dapat menjadi aktivator superoksida dismutase secara in silico.
Molecular Docking of Red Betel Leaf Bioactive Compounds (Piper crocatum) as Lipoxygenase Inhibitor Fernanda Chairunisa; Mega Safithri; Dimas Andrianto; Rini Kurniasih; Riyan Alifbi Putera Irsal
Indonesian Journal of Pharmaceutical Science and Technology Vol 10, No 2 (2023)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v10i2.38934

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Degenerative diseases occurred due to several risk factors that are directly related to inflammationwhich affected several diseases such as coronary heart disease (CHD) and diabetes. One of theinflammatory causative agents is leukotrienes produced by the lipoxygenase enzyme (LOX) so thatit takes anti-inflammatory drugs made from herbal plants. Red betel leaf (Piper crocatum) potentiallyinhibited the lipoxygenase enzyme because it contains potential phytochemical compounds suchas alkaloids, flavonoids, eugenol, saponins, and tannins. This research aimed to test the inhibitionof active compounds from extract and fractions of red betel leaves that have the best inhibition forlipoxygenase enzymes causing malondialdehyde formed through molecular docking simulations. Thisresearch used lipoxygenase enzyme as receptor (PRB code: 4NRE), C8E as natural ligand and activecompound from extract and fractions of red betel leaves as a ligand. The highest inhibition regarded toNandrolone phenylpropionate and Sofalcone ligand with -10.4 kcal/mol and -9.1 kcal/mol of affinityenergy. Amino acid residues that played a role in ligand and receptor interaction were HIS373 andHIS378. The receptor structure with the best ligands was declared stable based on molecular dynamicssimulations.
Red Betel Leaf Bioactive Compounds as ERα Receptor Inhibitors In Silico and MCF-7 Cell Anticancer In Vitro Ayu Tri Nursyarah; Mega Safithri; Dimas Andrianto
HAYATI Journal of Biosciences Vol. 30 No. 5 (2023): September 2023
Publisher : Bogor Agricultural University, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.4308/hjb.30.5.789-796

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Cancer is one of the leading causes of death in the world. Excess endogenous estrogen is a risk factor for breast cancer. Red betel leaf herbal plants have been used as an alternative cervical and colon cancer treatment. This study aimed to obtain the active compounds that play a role in ERα receptor inhibitors in silico and to determine the anti-breast cancer cytotoxic activity of the extract and fraction of red betel leaf against MCF-7 cells. We use in silico research method using the YASARA Structure software with anti-breast cancer receptors, namely 3ERT, and in vitro using the MTT test on the anti-breast cancer cytotoxic activity of MCF-7 cells. There are 38 compounds that were obtained from the research. The results of the in silico test showed that the bioactive compound that played a role in inhibiting the ERα was 2-(4-Hydro xyphenyl)-2-phenyl-N(3,3-diphenylpropyl)-acetamide (44578655), a compound from water fraction, with an inhibition constant of 2.82 × 10-8 µM and Gibbs free energy of –10.2880 Kcal/mol. In vitro results showed that the best cell growth inhibition value was obtained from the n-hexane fraction at a concentration of 500 ppm of 73.42%. The conclusions of this study indicate that the bioactive compound of red betel leaf is water fraction is the best fraction inhibition. However, the hexane fraction proved to have cytotoxic activity against breast cancer MCF-7 cells.
Total Phenolics, Flavonoids, and Antioxidant Activities of Indonesian Apis Dorsata Honey Due to Heating Akhmad Endang Zainal Hasan; Dimas Andrianto; Mega Safithri; Ilham Gilang Cahya Ahmada
Indonesian Journal of Applied Research (IJAR) Vol. 4 No. 2 (2023): Indonesian Journal of Applied Research (IJAR)
Publisher : Universitas Djuanda

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30997/ijar.v4i2.265

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Honey is rich in phenolic and flavonoid compounds that have the potential as antioxidants. The heating treatment of honey is also known to affect the honey compound. This study aimed to determine the best Indonesian A. dorsata honey from various locations based on the level of total phenolics compounds, flavonoids, and antioxidant capacity due to variations in heating temperature. The procedures carried out in this study included: heating the sample with variations (room temperature, 65 oC, and 121 oC), measuring total phenolic content using the Folin-Ciocalteau method, measuring total flavonoid content using the AlCl3 colorimetric method, and testing antioxidant activity using the DPPH method. Each honey's total phenolic, flavonoid, and antioxidant activity are affected by its origin. The impact of heating at 65 oC and 121 oC resulted in various changes between honey samples (p<0.05). The best A. dorsata honey overall was found in Flores honey after heating at 121 oC heating treatment with total phenolic content of 4.96 mgGAE/mL, total flavonoids of 1.173 mg QE/mL, and IC50 5.76 g/L.
Clusterization of Red Betel Leaves (Piper Crocatum) from Various Regions in Indonesia Based on Secondary Metabolite Fingerprint Analysis and Cytotoxicity Values Eka Wahyu Purnama; Mega Safithri; Dimas Andrianto
Indonesian Journal of Applied Research (IJAR) Vol. 4 No. 2 (2023): Indonesian Journal of Applied Research (IJAR)
Publisher : Universitas Djuanda

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30997/ijar.v4i2.293

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The quality of the ethanol extract of red betel leaves as a medicinal plant is determined by secondary metabolites, which are influenced by geographical conditions and the plant growing environment. This study aims to classify red betel from various regions in Indonesia based on secondary metabolite fingerprint analysis and cytotoxicity values. Observation of the diversity of secondary metabolites of the ethanol extract of red betel leaves from seven different regions (Banda Aceh, Bandung, Bogor, Malang, Samarinda, Kendari, Jayapura) was carried out using a metabolomics approach using liquid chromatography-mass spectroscopy (LC-MS/MS) and determining cytotoxicity value using the Brine Shrimp Lethality Test (BSLT) method. Secondary metabolite fingerprinting analysis using cluster analysis with dendrogram yielded 12 compounds with 3 sample groups based on their region of origin, namely group 1 (Banda Aceh, Samarinda, Jayapura); group 2 (Bandung, Kendari, Malang); group 3 (Bogor). Group 1 samples identified eight compounds that had the highest relative abundance values. Group 2 samples identified 3 compounds that have the highest relative abundance values. Group 3 samples had 1 compound with the highest relative abundance value. Each compound has a different retention time. The cytotoxicity value (LC50) of the ethanol extract of betel leaves was obtained from the Banda Aceh and Malang areas (2.64 µg/mL). The conclusions of this study based on the results of secondary metabolite fingerprinting analysis and cytotoxicity values ​​identified 12 compounds with three clusters of secondary metabolite diversity based on their region of origin, namely group 1 (Banda Aceh, Jayapura, Samarinda); group 2 (Bandung et al.); group 3 (Bogor).
Antioxidant Activity and Tyrosinase Inhibitor of Red Betel Leaf Extract Mustika Weni; Mega Safithri
Indonesian Journal of Applied Research (IJAR) Vol. 4 No. 3 (2023): Indonesian Journal of Applied Research (IJAR)
Publisher : Universitas Djuanda

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30997/ijar.v4i3.374

Abstract

Red betel leaf (Piper Crocatum) contains flavonoids, tannins, steroids, and alkaloids, known to act as antioxidants. This study aimed to determine the antioxidant activity of red betel leaf extract. The solvents used for the extraction process are ethanol and n-hexane. The thiobarbituric acid (TBA) method was used to determine antioxidant activity. The results showed that the extract of 200 ppm inhibited fatty acid oxidation by 52.13%. No significant difference (α = 0.05) inhibition of unsaturated fatty acids oxidation between the sample and α-tocopherol at 200 ppm. The ethanol extract of red betel can inhibit the tyrosinase enzyme higher than the n-hexane extract of red betel, as seen from the IC50 value of the ethanol extract of red betel of 1655 ppm, while the IC50 value of n-hexane of red betel is 3090.56 ppm.
In Vitro Evaluation of Purple Sweet Potato Leaf Extract (Ipomoea batatas) as a Tyrosinase Inhibitor and Malondialdehyde Formation Inhibitor Dewi Purnamasari; Mega Safithri; Dimas Andrianto
Indonesian Journal of Applied Research (IJAR) Vol. 5 No. 1 (2024): Indonesian Journal of Applied Research (IJAR)
Publisher : Universitas Djuanda

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30997/ijar.v5i1.384

Abstract

The study purple sweet potato is known to contain flavonoids, a class of natural polyphenols with the capability to mitigate skin pigmentation. The research aims to assess the antioxidant and tyrosinase inhibitory activities of purple sweet potato extracts obtained through hexane, ethyl acetate, ethanol, and water solvents. The results of phytochemical identification show that the extract contains various secondary metabolites which have the potential to act as antioxidants. The DPPH method IC50 values of 6948.12ppm for n-hexane, 3015.19ppm for ethyl acetate, 128.05ppm for ethanol, and 791.77ppm for water extract. The MDA inhibitor test IC50 values of 2067.02ppm for n-hexane, 1968.13ppm for ethyl acetate, 116.14ppm for ethanol, and 921.14ppm for water extract. In the tyrosinase inhibitor assay, IC50 values were 1328.29ppm for n-hexane, 1245.13ppm for ethyl acetate, 217.35ppm for ethanol, and 391.21ppm for water extract. Tuckey test statistics, ethanol extract was not significantly different from the positive control in the DPPH test, MDA inhibitor and tyrosinase test. These findings suggest that purple sweet potato extracts, particularly the ethanol extract, hold promise as natural ingredients with antioxidant and tyrosinase inhibitory properties, making them potential candidates for safe and effective skin brightening formulations.
Karakteristik Kolagen Larut Asam Teripang Gama (Stichopus variegatus): Characteristics of Stichopus variegatus acid solution collagen Mega Safithri; Kustiariyah Tarman; Pipih Suptijah; Sri Novita Sagita
Jurnal Pengolahan Hasil Perikanan Indonesia Vol 23 No 1 (2020): Jurnal Pengolahan Hasil Perikanan Indonesia 23(1)
Publisher : Department of Aquatic Product Technology IPB University in collaboration with Masyarakat Pengolahan Hasil Perikanan Indonesia (MPHPI)

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (498.682 KB) | DOI: 10.17844/jphpi.v23i1.31063

Abstract

Kolagen dibutuhkan pada berbagai industri farmasi, makanan, dan kosmetik, sehingga memiliki nilai ekonomis yang tinggi. Komoditas perikanan terutama teripang gama dapat digunakan sebagai sumber kolagen yang halal. Tujuan penelitian ini adalah untuk menentukan karakteristik fisikokimia kolagen larut asam teripang gama. Perlakuan untuk mendapatkan protein kolagen dilakukan dengan misahankan protein non kolagen menggunakan perendaman dalam NaOH 0,1 M selama 48 jam kemudian di netralisasi. Tahap selanjutnya dilakukan hidrolisis dan ekstraksi protein kolagen dengan asam asetat 0,5 M selama 48 jam. Hasil pemisahan protein non kolagen menunjukkan kadar protein non kolagen sebesar 0,02 mg/mL. Rendemen kolagen teripang gama yang didapat sebesar 2,4%. Kolagen larut asam teripang gama memiliki karakteristik fisik yaitu, derajat putih 61,83%, suhu denaturasi pada 48°C, suhu transisi pada 87,80°C, dan suhu pelelehan pada 162,40°C, serta viskositas 5,37 cP. Karakter kimia kolagen larut asam teripang gama yaitu pH 6,12 denganjenis asam amino penyusun kolagen, yaitu prolina 6,80%, alanina 10,61% dan glisina 12,63%, serta bilangan gelombang FTIR gugus fungsi yaitu amida I (1657,9), II (1572,0), dan III (1242,2) A (3406,3), dan B (2920,2) (cm-1).
Co-Authors . SURYANI Abdul Aziz Achyar, Catellia Auliany Agus Setiyono Akhmad Endang Zainal Hasan Anisa Gianti Zhafira ANNA SETIADI RANTI Anna Setiadi Ranti Aprilita Putri Defan Ritonga Athaya, Ardelia Ayu Tri Nursyarah Aziz Syamsul Huda Aziz Syamsul Huda Aziz Syamsul Huda Azka Adzkya Emalia Putri Bella Fatima Dora Zaelani C Hanny Wijaya Cika Hilda Fransiski Destiandani, Khansa Dewi Purnamasari Dimas Andrianto DIMAS ANDRIANTO Dimas Andrianto Dinar Mutiara Hikmah Djarot Sasongko Hami Seno Dwicesaria, Maheswari Alfira Dwitasari, Oczhinvia Dwitasari, Oczhinvia Eka Wahyu Purnama Etik Mardliyati, Etik Fachriyan H Pasaribu Faoziduhu Bawamenewi FARAH FAHMA Febrina, Adella Fernanda Chairunisa Fernanda Chairunisa Fitria Tika Pradita Fitriana S Monisa Fitrilia, Tiana Gholam, Gusnia Meilin Hanif Alamudin Manshur Hasim Hasim Hasim Hendra Susanto Hudayanti, Martini Husnawati Husnawati Husnawati, . Ilham Gilang Cahya Ahmada Imanniar Yuta Ellana Dittama Indariani, Susi Iriani Setyaningsih Irma Rahmayani Irsal, Riyan Alifbi Putera Kartika, Yayuk Kustiariyah Tarman LAKSMI AMBARSARI Maheswari Alfira Dwicesaria Maheswari Alfira Dwicesaria Mala Nurilmala MARIA BINTANG Maria Bintang Maulana, Farhan Mere, Janrigo Klaumegio Meydia Meydia Mita Gebriella Inthe Monita Rekasih Muhammad Assyar Mustika Weni Mustika Weni Mustika Weni Mustopa, Syahrul Mutmainnah Agustiawan Umar Mutmainnah Umar Nabilla, Rahmah Neni Widowati Nirmala Peni Sugiharti Nur Azizah Nusyarah, Ayu Tri Oczhinvia Dwitasari Paramitha Wirdani Ningsih Marlina Pipih Suptijah Pipih Suptijah Prayoga Pannindriya Prayoga Pannindrya Purwanto, Ukhradiya Magharaniq Safira Puspa Julistia Puspita Putu Kristiani Kalontong Rahadian Pratama Rahmadi Ganesha Putri Raisyadikara, Fadila Rini Kurniasih, Rini Riska Susila Putri Riyan Alifbi Putera Irsal Riyan Alifbi Putera Irsal Rizsa Mustika Pertiwi Rori Theresia Rosalina Yuliani Rosyidah, Rara Annisaur Safira P, Ukhradiya Magharaniq Saputra, Rahadita Maura Amanda Sari, Sintia Permata SEDARNAWATI YASNI Septaningsih, Dewi Anggraini Septiyani, Dinie Shafillah Miantika Silitonga, Ria Gusharani Sri Novita Sagita Sulistiyani , Susanto, Hendra Susi Indariani Susi Indariani Syaefudiin, Syaefudin Syaefudin Syaefudin Syamsul Falah Takeshi Katayama Theresia, Rori Tiara Fibri Yuniasih Tjahja Muhandri Toshisada Suzuki Ukhradiya Magharaniq Safira Purwanto Umar, Mutmainnah Agustiawan Uswatun Hasanah Vitriyanna Mutiara Yuhendri Wong, Chen Wai Yanti Fajarwati Yundari, Yundari Zaelani, Bella Fatima Dora Zatta Yumni Ihdhar Syarafina