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All Journal HAYATI Journal of Biosciences Jurnal Gizi dan Pangan Jurnal Teknologi Dan Industri Pangan Jurnal Pengolahan Hasil Perikanan Indonesia VALENSI ILMU KELAUTAN: Indonesian Journal of Marine Sciences JURNAL KIMIA SAINS DAN APLIKASI Current Biochemistry Indonesian Journal of Human Nutrition Journal of Mathematical and Fundamental Sciences Indonesian Journal of Pharmaceutical Science and Technology Jurnal Sumberdaya Hayati Warta IHP (Warta Industri Hasil Pertanian) ALCHEMY Jurnal Penelitian Kimia Chemistry Indonesian Journal of Chemical Research QARDHUL HASAN: MEDIA PENGABDIAN KEPADA MASYARAKAT Jurnal Ilmu dan Teknologi Kayu Tropis Jurnal Farmamedika (Pharmamedica Journal) Tunas Medika Jurnal Kedokteran & Kesehatan Indonesian Journal of Applied Research (IJAR) Wood Research Journal : Journal of Indonesian Wood Research Society Wood Research Journal : Journal of Indonesian Wood Research Society Journal of Food Technology and Health Journal of Fisheries & Marine Halal Studies and Society

Mega Safithri

Departemen Biokimia, Fakultas Matematika Dan Ilmu Pengetahuan Alam, Institut Pertanian Bogor Jl. Raya Dramaga Kampus IPB Dramaga Bogor, Jawa Barat 16680 Indonesia

Author-ID : 368003

Religion Agriculture, Biological Sciences & Forestry Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Earth & Planetary Sciences Economics, Econometrics & Finance Education Energy Engineering Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Physics Public Health Social Sciences Other

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In Silico Screening of Cinnamon (Cinnamomum burmannii) Bioactive Compounds as Acetylcholinesterase Inhibitors Zatta Yumni Ihdhar Syarafina; Mega Safithri; Maria Bintang; Rini Kurniasih
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Alzheimer’s is a progressive and neurodegenerative disease that mainly affects people aged 65 years and older. The pathophysiology of Alzheimer’s is possibly related to the depletion of the neurotransmitter acetylcholine (ACh) due to beta-amyloid plaques and neurofibrillary tangles. Secondary metabolites found in cinnamon bark (Cinnamomum burmannii) have the potential as anticholinesterases to treat Alzheimer’s symptoms. This study aimed to identify the potency of bioactive compounds from cinnamon bark as AChE inhibitors in silico through analysis of binding energy, inhibition constants, and types of interactions. The research was conducted by screening virtually 60 test ligands using the PyRx program and molecular docking using the Autodock Tools program. The results of the ligand-receptor interaction analysis showed that 12 of the 15 tested ligands had potential as AChE inhibitors. Epicatechin and medioresinol are the ligands with the best potential for AChE inhibition with affinity close to the natural ligand or donepezil. Epicatechin has a binding energy of −10.0 kcal/mol and inhibition constant of 0.0459 M, with four hydrogen bonds and seven hydrophobic bonds. Meanwhile, medioresinol has −9.9 kcal/mol binding energy and inhibition constant of 0.0543 M, with one hydrogen bond and thirteen hydrophobic bonds.

Molecular Docking of Red Betel (Piper crocatum Ruiz & Pav) Bioactive Compounds as HMG-CoA Reductase Inhibitor Bella Fatima Dora Zaelani; Mega Safithri; Dimas Andrianto
Jurnal Kimia Sains dan Aplikasi Vol 24, No 3 (2021): Volume 24 Issue 3 Year 2021
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Cholesterol plaque buildup in artery walls occurs due to oxidation of Low-Density Lipoprotein (LDL) molecules by free radicals, which are a risk factor for coronary heart disease. Piper crocatum contains active compounds that can act as HMG-CoA reductase inhibitors, such as flavonoids, alkaloids, polyphenols, tannins, and essential oils. This study aimed to predict the potential of Piper crocatum extract and fraction compounds as HMG-CoA reductase inhibitors by investigating the ligand affinity to the HMG-CoA reductase enzyme. Ligand and receptor preparation was conducted using BIOVIA Discovery Studio Visualizer v16.1.0.15350 and AutoDock Tools v.1.5.6. Molecular docking used AutoDock Vina, while ligand visualization and receptor binding used PyMOL(TM) 1.7.4.5.Edu. The receptor used was HMG-CoA reductase (PDB code: 1HWK) with atorvastatin as a control ligand. Catechin, schisandrin B, and CHEMBL216163 had the highest inhibition with affinity energies of -7.9 kcal/mol, -8.2 kcal/mol, -8.3 kcal/mol, respectively. Amino acid residues that played a role in ligand and receptor interactions were Ser684, Asp690, Lys691, Lys692.

Effect of Microencapsulation Techniques on Physical and Chemical Characteristics of Functional Beverage Based on Red Betel Leaf Extract (Piper crocatum) Mega Safithri; Susi Indariani; Rosalina Yuliani
Jurnal Kimia Sains dan Aplikasi Vol 23, No 8 (2020): Volume 23 Issue 8 Year 2020
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Functional drinks based on red betel leaf extract have antioxidant activity, but they still have a bitter taste. This study aims to determine the effect of microencapsulation on phenol content, antioxidant activity, and sensory quality of functional drinks based on betel leaf extract. Microencapsulation of functional drinks was made using maltodextrin coatings with concentrations of 10% and 20%. Antioxidant activity was tested by the CUPRAC method. The ready to drink (RTD) functional drink has a total phenolic content and antioxidant activity of 782.30 ± 2.54 mg GAE/g and 1660.19 ± 31.67 µmol Tr/g, respectively. These values are higher than microencapsulated functional drinks with maltodextrin (MM). The microencapsulated functional drink with 10% maltodextrin coating (MM10) is the chosen formulation since it has the smallest particle size (1.283 µm), total phenolic content of 12.90 ± 0.01 mg GAE/g and antioxidant activity of 189.41 ± 1.88 µmol Tr/g. Microencapsulated functional drinks provide sensory quality that is not significantly different (p <0.05) from ready to drink (RTD) drinks.

PENAPISAN VIRTUAL SENYAWA AKTIF SIRIH MERAH (Piper Crocatum) SEBAGAI INHIBITOR ANGIOTENSIN CONVERTING ENZYME Riyan Alifbi Putera Irsal; Djarot Sasongko Hami Seno; Mega Safithri; Rini Kurniasih
Jurnal Farmamedika (Pharmamedika Journal) Vol 7 No 2 (2022): 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.v7i2.157

Lisinopril (Angiotensin Converting Enzyme inhibitor) merupakan obat pilihan lini pertama dalam pengobatan hipertensi, namun obat tersebut masih memiliki banyak efek samping. Sirih merah telah banyak digunakan dalam pengobatan herbal dan diharapkan berpotensi menghambat aktivitas ACE (Angiotensin Converting Enzyme). Penelitian ini bertujuan untuk menemukan senyawa aktif yang berpotensi menghambat ACE in silico dengan metode molecular anchoring. Enzim ACE memiliki sisi pengikatan Metal binding yang mengikat di logam zinc, interaksi tersebut melibatkan asam amino HIS383, HIS387, dan GLU411. Situs aktif dari enzim ACE terletak pada asam amino GLU384. Ion zinc merupakan komponen penting dari ACE karena terikat pada situs aktif. Terdapat 7 ligan yang berinteraksi dengan asam amino penting sesuai ligan alami dan bernilai (bebas Gibbs dan Ki) lebih negatif dari ligan alaminya. Terdapat 1 ligan yang menjadi terbaik diantara 7 ligan yaitu, 3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypentan-2-yl]- 4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12- diol.

STUDI IN VITRO SENYAWA BIOAKTIF EKSTRAK DAN FRAKSI DAUN SIRIH MERAH (Piper crocatum) SEBAGAI INHIBITOR α-GLUKOSIDASE Mustika Weni; Mega Safithri
Tunas Medika Jurnal Kedokteran & Kesehatan Vol 8, No 1 (2022): TUNAS MEDIKA JURNAL KEDOKTERAN & KESEHATAN
Publisher : Tunas Medika Jurnal Kedokteran & Kesehatan

Show Abstract | Download Original | Original Source | Check in Google Scholar

Daun sirih merah (Piper crocatum) dimanfaatkan oleh masyarakat sebagai tanaman obat. Penelitian ini bertujuan menentukan efektivitas aktivitas ekstrak etanol, fraksi etil asetat, fraksi n-heksan dan fraksi air daun sirih merah (Piper crocatum) dalam menghambat enzim alfa glukosidase dan menentukan tipe penghambatannya terhadap enzim alfa glukosidase dengan metode Dixon. Ekstraksi dilakukan dengan menggunakan pelarut etanol 70%. Ekstrak etanol kemudian di fraksinasi dengan menggunakan 3 pelarut dengan tingkat kepolaran yang berbeda, yaitu air, etil asetat dan n-heksan. Penentuan aktivitas penghambatan enzim alfa glukosidase dengan metode Dixon. Hasil penelitian menunjukkan fraksi etil asetat daun sirih merah memiliki aktivitas penghambatan paling baik dibandingkan dengan ekstrak etanol 70%, fraksi n-heksan dan fraksi air. Nilai IC50 yang diperoleh fraksi etil asetat daun sirih merah sebesar 743.80 μg/mL, mekanisme penghambatan yang diperoleh adalah penghambatan kompetitif dengan nilai Ki sebesar 95 μM. Kata Kunci: Aktivitas penghambatan enzim α-glukosidase, Dixon, Piper crocatum Piper crocatum is used by the community as a medicinal plant. This study aimed to determine the effectiveness of the activity of ethanol extract, ethyl acetate fraction, n-hexane fraction and water fraction of red betel leaf (Piper crocatum) in inhibiting the alpha glucosidase enzyme and determine the type of inhibition of the alpha glucosidase enzyme using the Dixon method. Extraction was carried out using 70% ethanol as a solvent. The ethanol extract was then fractionated using 3 solvents with different polarity levels, namely water, ethyl acetate and n-hexane. Determination of the inhibitory activity of the alpha glucosidase enzyme by the Dixon method. The results showed that the ethyl acetate fraction of red betel leaf had the best inhibitory activity compared to 70% ethanol extract, n-hexane fraction and water fraction. The IC50 value obtained by the ethyl acetate fraction of red betel leaf was 743.80 g/mL, the inhibitory mechanism obtained was competitive inhibition with a Ki value of 95 M. Keywords: Inhibitory activity of -glucosidase enzymes, Dixon, Piper crocatum

Active Compound of Red Betel (Piper Crocatum Ruiz & Pav) as Activator of Cu/Zn Superoxide Dismutase in Silico Riska Susila Putri; Mega Safithri; Dimas Andrianto
Indonesian Journal of Applied Research (IJAR) Vol. 3 No. 2 (2022): Indonesian Journal of Applied Research (IJAR)
Publisher : Universitas Djuanda

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30997/ijar.v3i2.212

Cancer degenerative disease is a serious problem in Indonesia, caused by free radicals, and can be prevented by antioxidant compounds. Superoxide dismutase (SOD) is the strongest enzyme that acts as a protective organism against oxidative stress. The active compound of red betel can be studied in silico as an activator of the SOD enzyme. Molecular docking visualization, physicochemistry, toxicity of red betel active compounds were studied and continued with molecular docking. The studied parameters were Gibbs free energy (ΔG) and receptor-ligand chemical bonding analysis. The test results show that the active compounds of red betel 6-Amino-2-(3-aminopropylamino)-9-(cyclohexylmethyl)- 2,3,4,5,6,7-hexahydro-1H-purin-8-one was well-absorbed dan safe for consumption with Gibbs free energy value of -9.1490 kcal/mol. Hydrogen and hydrophobic interactions of these compounds were similar to the control ligand, namely β-amyrin and Trehalose. This study concluded that the active compound of red betel 6-Amino-2-(3-aminopropylamino)-9-(cyclohexylmethyl)- 2,3,4,5,6,7-hexahydro-1H-purin-8-one has the best potential to increase the work of Cu/Zn-SOD enzymes. This compound also meets the requirements of Lipinski regulations so that it can be well absorbed orally by the body and is not carcinogenic

In Silico Study of Anticancer Activity of Red Betel Leaves Bioactive Compounds against Colon Cancer Marker Proteins Mutmainnah Umar; Mega Safithri; Rahadian Pratama
HAYATI Journal of Biosciences Vol. 30 No. 1 (2023): January 2023
Publisher : Bogor Agricultural University, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.4308/hjb.30.1.113-121

Colon cancer or colorectal cancer is one of the major health problems in the world. Previous research has proven that red betel leaves extract has anticancer activity against breast cancer cells. The study aimed to look at the potential of compounds contained in red betel ethyl acetate fraction as anticancer substances for colon cancer by conducting in silico tests through the docking of three colon cancer biomarker receptors against eight red betel leaves compounds. The parameters of binding affinity energy and inhibition constant used in the molecular docking analysis showed that there are several compounds that have the potential as inhibitors against colon cancer marker proteins to inhibit the development of colorectal cancer and have high bioavalibility as oral drugs. Based on in silico test it is known that the compound N-1,N-9-Bis [E-(2-nitophenyl) methylene] non anedihydrazide has the highest inhibition of human leukotriene A4 hydrolase receptor with binding affinity energy of 11.3160 Kcal/mol. The next compound is 4-({4,6-Bis[3R,5S)-3,5-diamino-1-piperydinyl]-1,3,5-traizin-2-yl}amino) benzenosulfon amide which has the highest inhibition in Chek1 with binding affinity energy of 9.7110 Kcal/mol, and the compound 4-(4-methoxy-phenylamino)-2,3-dihydro-1H-4a, 9-diaza-cyclopenta (b) fluorine-10-carbonitrile has the highest inhibition in the Bcl 2 navitoclax analog receptor with binding affinity energy of 8.4470 Kcal/mol.

In Vitro and In Vivo Malondialdehyde Inhibition Activities of Stichopus hermanii and Spirulina platensis Mega Safithri; Kustiariyah Tarman; Iriani Setyaningsih; Yanti Fajarwati; Imanniar Yuta Ellana Dittama
HAYATI Journal of Biosciences Vol. 29 No. 6 (2022): November 2022
Publisher : Bogor Agricultural University, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.4308/hjb.29.6.771-781

Previous research showed that Stichopus hermannii and Spirulina platensis had an antioxidant activity. It is indicated by the reduced malondialdehyde (MDA) level in the liver of the diabetic rats. However, the STZ administration did not significantly increase MDA concentration of diabetic rats' blood serum for 14 days. This research aimed to determine in vitro and in vivo MDA inhibition of S. hermanii and S. platensis. The in vitro antioxidant activity test was conducted using the MDA-TBA method, and a positive control used α-tocopherol. For in vivo experiment, diabetic rats (DM) were induced by streptozotocin for 21 days. Twenty-five rats which were divided into five groups: normal rat group (NA), diabetic rat group (DA), diabetic rat group + glibenclamide (DG), diabetic rats + Stichopus hermanii (SH), and diabetic rats + Spirulina platensis (SP). The in vitro results showed that the antioxidant activity of 25 ppm Spirulina platensis had the same MDA inhibitory activity as 200 ppm α-tocopherol, but 200 ppm Stichopus hermanii had lower inhibition than 200 ppm α-tocopherol. The in vivo result showed that Stichopus hermanii treatment was more effective in suppressing blood serum MDA concentration, but Spirulina platensis was more effective in suppressing liver MDA concentration.

Penambatan Molekul Senyawa Aktif Spirulina platensis sebagai Inhibitor TMPRSS2 untuk Mencegah Infeksi SARS-COV-2: Molecular Docking of Active Compound of Spirulina platensis as TMPRSS2 Inhibitor to Prevent the SARS-COV-2 Infection Putu Kristiani Kalontong; Mega Safithri; Kustiariyah Tarman
Jurnal Pengolahan Hasil Perikanan Indonesia Vol 25 No 2 (2022): Jurnal Pengolahan Hasil Perikanan Indonesia 25(2)
Publisher : Masyarakat Pengolahan Hasil Perikanan Indonesia (MPHPI)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.17844/jphpi.v25i2.40645

Spirulina platensis is a blue green algae (Cyanophyta) species that consumed as a healthy food and as a source of various types of nutritions that needed by the human body. The compounds that isolated from the microalgae has been reported as effective inhibitors against several types of viruses. COVID-19 is a disease that caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). In mechanism, spike protein SARS-CoV-2 is activated by TMPRSS2 to enter host cells. Thus, inhibiting TMPRSS2 activity can be prevent the SARS-COV-2 infection. This study aims to analyze the potential of the active compound of the extracts of S. platensis as TMPRSS2 inhibitor to prevent the SARS-COV-2 infection that expected to reduce the severity of the COVID-19. This study using molecular docking study based on the affinity energy (ΔG) and inhibition constant (Ki). The potential active compound also compared to natural ligands and nafamostat. Molecular docking was conducted on 45 of 108 active compounds of S. platensis with TMPRSS2 protein. Molecular docking results indicate that quercitrin has the potential as a TMPRSS2 inhibitor due to its most negative ΔG by -7.40 kcal/mol and inhibition constant by 3.77 M. The quercitrin also can bind to 2 residues from the active side of TMPRSS2 than natural ligands and nafamostat that only bind to 1 residue of the active side of TMPRSS2.

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

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.

Co-Authors . SURYANI Abdul Aziz Abdullah, Wais Achyar, Catellia Auliany Agus Setiyono Akhmad Endang Zainal Hasan Anisa Gianti Zhafira ANNA SETIADI RANTI Anna Setiadi Ranti Athaya, Ardelia Ayu Tri Nursyarah Aziz Syamsul Huda Aziz Syamsul Huda Bella Fatima Dora Zaelani C Hanny Wijaya Cika Hilda Fransiski Destiandani, Khansa Dewi Purnamasari 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 Fibri Yuniasih, Tiara Fitria Tika Pradita Fitriana S Monisa Fitrilia, Tiana Gholam, Gusnia Meilin Hanif Alamudin Manshur Hasim Hasim Hasim Hendra Susanto Huda, Aziz Syamsul 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 Mala Nurilmala MARIA BINTANG Maria Bintang Maulana, Farhan Mere, Janrigo Klaumegio Meydia Meydia Miantika, Shafillah 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 Putri, Azka Adzkya Emalia Putu Kristiani Kalontong Rahadian Pratama Rahmadi Ganesha Putri Raisyadikara, Fadila Rini Kurniasih, Rini Riska Susila Putri Ritonga, Aprilita Putri Defan 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 Silitonga, Ria Gusharani Sri Novita Sagita Sulistiyani Susanto, Hendra Susi Indariani Syaefudiin, Syaefudin Syaefudin Syaefudin Syaefudin Syamsul Falah Takeshi Katayama Theresia, Rori Tjahja Muhandri Toshisada Suzuki Umar, Mutmainnah Agustiawan Uswatun Hasanah Vitriyanna Mutiara Yuhendri Wong, Chen Wai Yanti Fajarwati Yundari, Yundari Zaelani, Bella Fatima Dora Zatta Yumni Ihdhar Syarafina

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