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Exploration of the flavonoid content of Ziziphus spina-christi leaf extract and antioxidant activity assay through in vitro and in silico methods Fitrianti Darusman; Taufik Muhammad Fakih; Dwi Syah Fitra Ramadhan; Hilda Aprilia Wisnuwardhani; Teti Sofia Yanti
Pharmaciana Vol 13, No 1 (2023): Pharmaciana
Publisher : Universitas Ahmad Dahlan

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (556.966 KB) | DOI: 10.12928/pharmaciana.v13i1.24016

Abstract

One plant that has the potential as an antioxidant is Ziziphus spina-christi (ZSC) because it contains phenolics and flavonoids. This study aims to determine the flavonoid content both qualitatively and quantitatively and to test the antioxidant activity of ZSC leaf extract using in vitro and in silico attenuation methods. Determination of the total flavonoid content of ZSC leaf extract using a comparison of quercetin. In vitro the antioxidant activity assay of ZSC leaf extract was carried out by measuring the reducing activity of ZSC leaf extract against the radical DPPH using ascorbic acid as comparison, while the in silico method using QSAR and pharmacophore modeling techniques. The results showed that the total flavonoid content obtained from ZSC leaf extract was 0.2515 ± 0.0013 mg QE/g D.W with an IC50 of 58.9296 ppm. This value indicates that ZSC leaf extract has potential as a strong antioxidant. Furthermore, from the in silico method using pharmacophore modeling and QSAR techniques, 8 hit compounds were obtained from the content of ZSC with IC50 QSAR ranging from 6.57 to 0.0004, which was thought to be the metabolite that had the most role in its antioxidant activity. This value indicates that ZSC leaf extract has potential as a very strong antioxidant. It also proves that QSAR and pharmacophore modeling techniques can be used as confirmatory tests for in vitro results in determining the antioxidant activity of natural materials.
Identifikasi Struktur Protein Spike Varian Baru SARS-CoV-2 secara Bioinformatika dalam Pengembangan Kandidat Terapi COVID-19 Taufik Muhammad Fakih; Dwi Syah Fitra Ramadhan; Aulia Fikri Hidayat; Budi Prabowo Soewondo
Jurnal Riset Kimia Vol. 14 No. 2 (2023): September
Publisher : Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jrk.v14i2.552

Abstract

Despite the relatively slow evolutionary rate of SARS-CoV-2 in comparison to other RNA viruses, the extensive and rapid transmission during the COVID-19 pandemic has led to the emergence of significant genetic diversity since the virus first infected the human population. This has resulted in various variants, such as Alpha (B.1.1.7), Beta (B.1.351), Gamma (P.1), among others. Of particular concern are the Delta Variant and newly recognized Variants of Concern (VOCs), including lineages of B.1.617.2, as well as other VOCs discovered through local transmission, such as Epsilon (B.1.427/29-US) and B1.1.7/E484K-UK. The interactions between these variants and the spike protein of SARS-CoV-2, as well as the Angiotensin-converting enzyme 2 (ACE2), have become a primary focus in understanding the infection and spread of the SARS-CoV-2 virus. This research aims to comprehensively identify, evaluate, and explore the structural characteristics of the macromolecular spike protein of SARS-CoV-2 in the Beta, Gamma, and Delta variants using bioinformatics approaches. The methods employed in this study include homology modeling, molecular docking simulations, and molecular dynamics simulations. The research findings indicate that the spike protein of SARS-CoV-2 in the Gamma variant exhibits a strong affinity for ACE2. Therefore, this study is expected to serve as a reference for designing effective vaccine or antiviral candidates targeting various SARS-CoV-2 variants in the treatment of COVID-19 infections.
Activity Prediction of Bioactive Compounds Contained in Etlingera elatior Against the SARS-CoV-2 Main Protease: An In Silico Approach Dwi Syah Fitra Ramadhan; Taufik Muhammad Fakih; Arfan Arfan
Borneo Journal of Pharmacy Vol. 3 No. 4 (2020): Borneo Journal of Pharmacy
Publisher : Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33084/bjop.v3i4.1634

Abstract

The COVID-19 pandemic has become a serious problem today, with its prevalence increasing every day. The SARS-CoV-2 main protease (MPro) is a promising therapeutic target to inhibit replicating and spreading the virus that causes COVID-19. The compounds contained in the Etlingera elatior plant has the potential. This study aimed to examine the compounds' activity in E. elatior against SARS-CoV-2 MPro using in silico methods. A total of seven compounds contained in E. elatior were obtained from the Knapsack database. The compounds were then docked into the SARS-CoV-2 MPro receptor's active site with the PDB ID 6LU7. Afterward, the biological activities were predicted by the PASS prediction webserver. The molecular docking results showed that ergosterol peroxide and sitostenone had the best binding energy with -10.40 kcal/mol and -9.17 kcal/mol, respectively. The in silico PASS prediction showed it has potential as antiviral therapy. It concluded ergosterol peroxide and sitostenone has the potential as SARS-CoV-2 MPro inhibitor candidate.
Understanding the structural foundation of mucroporin peptide as a potential anti-COVID-19 candidate: Computational methods Fakih, Taufik Muhammad; Ramadhan, Dwi Syah Fitra; Rizkita, Aden Dhana
Biogenesis: Jurnal Ilmiah Biologi Vol 11 No 2 (2023)
Publisher : Department of Biology, Faculty of Sci and Tech, Universitas Islam Negeri Alauddin Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/bio.v11i2.41302

Abstract

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Studi In Silico Senyawa α-Mangostin Sebagai Inhibitor Terhadap Reseptor Glikogen Sintase Kinase 3β (Gsk 3β) Sebagai Alternatif Terapi Kanker Payudara Trisnaputri, Dian Rahmaniar; Handayani, Rizky Dwi; Dewi, Citra; Ramadhan, Dwi Syah Fitra
Jurnal Pharmacia Mandala Waluya Vol. 2 No. 2 (2023): Jurnal Pharmacia Mandala Waluya
Publisher : Prodi Farmasi Universitas Mandala Waluya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.54883/jpmw.v2i2.63

Abstract

Kanker payudara merupakan kanker yang terbentuk dari sel-sel payudara yang tumbuh dan berkempang tanpa terkendali yang letaknya pada lapisan lobulus dan saluran duktus. Salah satu penyebab terjadinya kanker payudara karena adanya overekspresi Glikogen Sintase Kinase 3β (GSK 3β) melalui jalur wnt/β-catenin sehingga β-catenin tidak terfosforilasi menyebabkan terjadinya kanker. Salah satu senyawa yang mempunyai aktivitas sebagai antikanker payudara yaitu α-mangostin. Tujuan penelitian ini adalah untuk mengetahui senyawa α-mangostin dapat bertindak sebagai inhibitor terhadap reseptor GSK 3β pada kanker payudara. Metode pada penelitian ini adalah in silico melalui penambatan molekul (molecular docking) pada reseptor GSK 3β (kode PDB: 1Q3D, 1PYX, 4ACC, 3GB2, 4PTE, 1Q5K) dan α-mangostin dengan menggunakan software Autodock Tools 4.2 dan BIOVIA discovery studio 2019. Hasil penambatan molekul (molecular docking) yang diperoleh menunjukkan senyawa α-mangostin memiliki nilai energi ikatan dan konstanta inhibisi yang lebih rendah dari ligan alami (pembanding) pada kode PDB 1Q3D (-8,76 kcal/mol dan 376,96 nM), 4ACC (-7,66 kcal/mol dan 2,44 μM) dan 1Q5K (-6,49 kcal/mol dan 17,55 μM). Hasil interaksi residu asam amino senyawa α-mangostin memiliki kesamaan dengan ketiga ligan alami dengan rentang persentase 66-84%. Hal ini menunjukkan bahwa senyawa α-mangostin dapat digunakan sebagai kandidat obat antikanker payudara.
Formulasi Dan Evaluasi Fisik Sediaan Masker Sheet Ekstrak Daun Ubi Jalar Ungu (Ipomoeabatatas L.) Sebagai Antioksidan Anggraeni, Ni Kadek Dwi; Lolok, Nikeherpianti; Ramadhan, Dwi Syah Fitra
Jurnal Pharmacia Mandala Waluya Vol. 3 No. 2 (2024): Jurnal Pharmacia Mandala Waluya
Publisher : Prodi Farmasi Universitas Mandala Waluya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.54883/jpmw.v3i2.95

Abstract

Tumbuhan Ubi jalar Ungu merupakan tanaman yang dikenal diIndonesia. Merupakan satu bahan pangan alternatif selain beras. Bagian yang dimanfaatkan yaitu umbinya, tapi ternyata daun ubi jalar ungu (Ipomoea batatas L.)  juga memiliki kandungan yang tidak kalah baik. Berdasarkan dari uji yang telah dilakukan ekstrak daun ubi jalar ungu (Ipomoea batatas L.) positif mengandung senyawa kimia flavonoid, alkaloid, saponin dan tannin.Jenis penelitian ini adalah penelitian analitik. Sampel penelitian adalah ekstrak daun ubi jalar ungu (Ipomoea batatas L.) yang dibagi menjadi 4 konsentrasi yakni 2,5 ppm, 5 ppm, 7,5 ppm dan 10 ppm. Dengan menggunakan pengujian aktivitas antioksidan metode DPPH (1,1-Difenil-2-pikrilhidrazil).  Kemudian dari ekstrak yang telah diidentifikasi memiliki kandungan antioksidan tersebut dibuatlah bentuk sediaan masker sheet. Dengan pengujian organoleptik, homogenitas, uji pH, viskositas dan uji iritasi kulit. Hasil penelitian menunjukan ekstrak daun ubi jalar ungu (Ipomoea batatas L.) memiliki aktivitas antioksidan yang lemah dengan nilai IC50 281,44. Dan hasil formulasi sediaan masker sheet ditemukan sediaan berbau khas dan berwarna kuning kecoklatan serta homogen. Nilai pH sediaan F0 (6), F1 (5), F2 (5) dan F3(5). Nilai Viskositas F1(96,66-100), F2(93,33-96,66), dan F3(93,33-96,66) Dan Pengujian iritasi terhadap relawan menunjukan hasil sediaan tidak menimbulkan efek iritasi.
Prediksi dan Identifikasi Struktur Protein EGFR Kanker Paru dengan Mutasi Titik L718Q/T790M Secara Pemodelan Homologi In Silico Dwi Syah Fitra Ramadhan; Daryono H. Tjahjono
Jurnal Sains dan Kesehatan Vol. 2 No. 4 (2020): J. Sains Kes.
Publisher : Fakultas Farmasi, Universitas Mulawarman, Samarinda, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25026/jsk.v2i4.257

Abstract

EGFR receptors play an important role in the growth of cancer cells, and these receptors have undergone various types of mutations. At this time, the effect of the L718Q / T790M point mutation on the EGFR receptor is not known, therefore the aim of this study is to predict the EGFR structure with the L718Q / T790M point mutation using in silico homology modeling. The mutant protein was successfully modeled using SWISS-Model expasy webserver and showed good evaluation results after the protein was minimized as indicated by the results of the Ramachandran outlier score of 0%, clashscore 0.98, and MolProbity 1.15. Identification of the active site of the mutant protein shows a conformational change of the active site that causes a steric collision between the inhibitor group and the amino acid side chain of the mutant protein. Keywords: EGFR, mutation, homology modeling, in silico.
Hubungan Kuantitatif Struktur-Aktivitas dan Desain Senyawa Novel Phenyl Benzimidazoles sebagai Penghambat Wnt/?-Catenin untuk Terapi Pancreatic Ductal Adenocarcinoma: Quantitative Structure-Activity Relationship and Design of Novel Phenyl Benzimidazoles as Wnt/?-Catenin Inhibitors for Pancreatic Ductal Adenocarcinoma Therapy Dwi Syah Fitra Ramadhan; Rusli Rusli; Taufik Muhammad Fakih
Jurnal Sains dan Kesehatan Vol. 5 No. 5 (2023): J. Sains Kes.
Publisher : Fakultas Farmasi, Universitas Mulawarman, Samarinda, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25026/jsk.v5i5.1713

Abstract

In the pancreatic ductal adenocarcinoma (PDAC) initiation and progression, the Wnt/β-Catenin signaling pathway showed a very important role. Earlier study showed that novel phenyl benzimidazoles have inhibiton activity in Wnt/?-Catenin pathway. The purpose of the present study was to design novel phenyl benzimidazoles as a Wnt/?Catenin inhibitor on PDAC based on the Quantitative In the pancreatic ductal adenocarcinoma (PDAC) initiation and progression, the Wnt/?-Catenin signaling pathway showed a very important role. Earlier study showed that novel phenyl benzimidazoles have inhibiton activity in Wnt/?-Catenin pathway. The purpose of the present study was to design novel phenyl benzimidazoles as a Wnt/?Catenin inhibitor on PDAC based on the Quantitative Structure Activity Relationship (QSAR) method. The molecule structures were built optimized by semi empirical AM1 using Gaussian. 12 Descriptors were selected which represented electronical, hydrophobic, and steric parameters using MOE 2014.0901. The compounds suspected as an outlier were then removed from the data set based on XZ-score value, i.e. compounds with XZ-score above 2.5. The data set were then classified into two parts, i.e. training set and test set. Validation was performed using Leave One Out (LOO) method and F test. The new derivatives were designed using topliss scheme, in which parent compound with the lowest IC value was used as a 50 template. The statistical analysis showed that there were two most influential descriptors of Wnt/?-Catenin inhibition activity: mr and LogS. The LOO validation gave Q2 = 0.7363. Six new derivatives, predicted to have lower IC that of parent compound. Keywords: Benzimidazoles, PDAC, QSAR, Wnt/?-Catenin Abstrak Jalur pensinyalan Wnt/?-Catenin sangat penting dalam inisiasi dan perkembangan dari pancreatic ductal adenocarcinoma (PDAC). Studi sebelumnya menunjukkan bahwa fenil benzimidazol baru memiliki aktivitas penghambatan di jalur Wnt/?-Catenin. Tujuan dari penelitian ini adalah untuk merancang fenil benzimidazol baru sebagai penghambat Wnt/?Catenin pada PDAC berdasarkan metode Hubungan Kuantitatif Struktur-Aktivitas (HKSA). Struktur molekul dibangun dan dioptimalkan dengan metode AM1 semi empiris menggunakan Gaussian. Sebanyak 12 Deskriptor dipilih yang mewakili parameter elektronik, hidrofobik, dan sterik menggunakan MOE 2014.0901. Senyawa-senyawa yang diduga outlier kemudian dikeluarkan dari kumpulan data berdasarkan nilai XZ-score, yaitu senyawa-senyawa dengan XZ-score di atas 2,5. Kumpulan data kemudian diklasifikasikan menjadi dua bagian, yaitu training set dan test set. Validasi dilakukan menggunakan metode statistik Leave One Out (LOO). Turunan baru dirancang menggunakan skema topliss, dimana senyawa induk dengan nilai IC terendah digunakan sebagai template. Analisis statistik menunjukkan bahwa ada dua deskriptor paling berpengaruh dari aktivitas penghambatan Wnt/?-Catenin: mr dan LogS. Validasi LOO menunjukkan niali Q2 = 0,7363. Enam turunan baru, diprediksi memiliki IC yang lebih rendah dari senyawa induknya. Kata Kunci: Benzimidazoles, PDAC, HKSA, Wnt/?-Catenin
Kesesuaian Penggunaan Obat Pada Pasien Diabetes Mellitus Berdasarkan Algoritma Terapi Di wilayah Kerja Puskesmas Cendrawasih dan Puskesmas Jumpandang Baru Kota Makassar Rusli, Rusli; Arisanty, Arisanty; Ramadhan, Dwi Syah Fitra; Bahar, Frida; Ramadani, Suci
Media Kesehatan Politeknik Kesehatan Makassar Vol 19 No 1 (2024): Media Kesehatan
Publisher : Direktorat Politeknik Kesehatan Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.32382/medkes.v19i1.778

Abstract

Diabetes mellitus (DM) is a long-term multisystem disease characterized by aberrant insulin synthesis, impaired insulin use, or both. Diabetes mellitus (DM) will become increasingly common worldwide to triple by 2030. The purpose of this study was to analyze the appropriateness of drug use in patients with diabetes mellitus based on the diabetes mellitus therapy algorithm in the working area of the cendrawasih and jumpandang baru puskesmas in Makassar city. In this study the authors used the Retrospective Technique. This technique is carried out by taking data on patients with diabetes mellitus in the work area of the cendrawasih and jumpandang baru health centers in the city of Makassar. The results of the study using 67 medical record samples at the cendrawasih health center found that most patients in this study were female (68.65%), age> 60 years (56.72%), last high school education (38.81%), IRT work (49.25%). The most common group of antidiabetic drugs is Biguanide with the most common drug metformin (63.44%). The most common therapy pattern is Biguanide Metfromin group monotherapy (93.33%), the most use of combination therapy is Sulfonylurea and Biguanide groups, namely Metformin and Glimepiride (40.91%). The suitability of the selection of antidiabetic drugs for all patients is said to be in accordance with PERKENI (2021) as many as 67 patients (76.87%) while the results of this study using 75 medical record samples at jumpandang baru health center found that most patients in this study were female with an age range of 45-64 years (69.23%). The most commonly used antidiabetic drug class is the biguanide group, namely metformin (53.57%). The most common therapy pattern was metformin monotherapy (71.05%). For the use of two-drug polatherapy with the most combinations, namely the biguanide group (metformin) with the sulfonylurea group (glimepirid) with a percentage of (75.67%). Keywords: antidiabetics drugs, diabetes mellitus, and appropriateness of drug use.
Edukasi Kehalalan Produk Obat, Makanan dan Minuman Ramadhan, Dwi Syah Fitra; Putri, Eka Ruliyati; Kamaliah, Naila Bintan; Latifah, Siti Diwani
Jurnal Mandala Pengabdian Masyarakat Vol. 5 No. 2 (2024): Jurnal Mandala Pengabdian Masyarakat
Publisher : Progran Studi Farmasi Universitas Mandala Waluya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35311/jmpm.v5i2.484

Abstract

Produk farmasi merupakan salah satu kategori produk yang paling umum digunakan di fasilitas pelayanan kesehatan, termasuk rumah sakit. Namun, hingga saat ini, produk farmasi belum dikategorikan sebagai produk yang dapat disertifikasi halal oleh Majelis Ulama Indonesia (MUI). Informasi terkait status kehalalan obat-obatan, baik yang telah bersertifikat halal maupun yang belum, masih kurang transparan. Kajian terhadap ketersediaan dan pasokan obat-obatan di rumah sakit dan klinik menunjukkan bahwa mayoritas produk farmasi yang digunakan belum memiliki sertifikasi halal. Dalam rangka mendukung penggunaan produk farmasi halal, termasuk obat-obatan, makanan, dan minuman, diperlukan peningkatan pemahaman masyarakat mengenai pentingnya sertifikasi halal. Hal ini bertujuan untuk melindungi konsumen dari produk yang tidak bersertifikasi halal dan memberikan informasi mengenai dampaknya. Oleh karena itu, dilakukan kegiatan penyuluhan dengan tema “Edukasi Kehalalan Produk Obat, Makanan, dan Minuman”. Penyuluhan ini bertujuan untuk meningkatkan pemahaman siswa SMP Negeri 3 Makassar terkait pentingnya kehalalan produk, memberikan informasi yang akurat tentang proses kehalalan, serta standar dan prosedur sertifikasi halal. Penyuluhan dilaksanakan secara tatap muka dengan metode ceramah interaktif menggunakan media presentasi PowerPoint, video edukasi, serta permainan (games) yang dirancang untuk mengasah pemahaman siswa. Hasil dari kegiatan menunjukkan peningkatan pengetahuan peserta, yang diukur melalui perbandingan skor pre-test dan post-test. Sebelum penyampaian materi, skor rata-rata pre-test peserta adalah 60,48, sementara setelah kegiatan penyuluhan, skor rata-rata meningkat menjadi 66,19. Peningkatan ini menunjukkan bahwa edukasi kehalalan produk memiliki dampak positif dalam meningkatkan kesadaran generasi muda terhadap pentingnya memilih produk yang halal dan aman untuk dikonsumsi dalam kehidupan sehari-hari.