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All Journal Pharmaciana: Jurnal Kefarmasian Biogenesis: Jurnal Ilmiah Biologi Jurnal Riset Kimia Indonesian Journal of Pharmaceutical Science and Technology Jurnal Biodjati ALCHEMY Jurnal Penelitian Kimia JSFK (Jurnal Sains Farmasi & Klinis) Jurnal Ilmu Kefarmasian Indonesia JURNAL FARMASI GALENIKA Majalah Farmasetika Jurnal Ilmiah Farmasi Farmasyifa Abdi Dosen : Jurnal Pengabdian Pada Masyarakat Jurnal Riset Farmasi Pharmaceutical Sciences and Research (PSR) Bandung Conference Series: Pharmacy Borneo Journal of Pharmacy Jurnal Farmasi Galenika
Fitrianti Darusman
Prodi Farmasi, Fakultas Farmasi Dan Sains, Universitas Islam Bandung, Indonesia
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Earth & Planetary Sciences Education Energy Environmental Science Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Public Health Social Sciences

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In Silico Activity Identification of Cyclo Peptide Alkaloids from Zizyphus Spina-Christi Species Against Sars-Cov-2 Main Protease Taufik Muhammad Fakih; Dwi Syah Fitra Ramadhan; Fitrianti Darusman
Jurnal Biodjati Vol 6 No 1 (2021): May
Publisher : UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15575/biodjati.v6i1.10603

Abstract

The COVID-19 has spread worldwide and become an international pandemic. The promising target for drug discovery of COVID-19 was SARS-CoV-2 Main Protease (Mpro), that has been successfully crystallized along with its inhibitor. The discovery of peptide-based inhibitors may present better options than small molecules for inhibitor SARS-CoV-2 Mpro. Natural compounds have such a wide potential and still few explored, Zizyphus spina-christi is one of the medicinal plants that have many pharmacological activities and contains a peptide compound from alkaloids class, i.e. cyclopeptide alkaloids, that is interesting to explore as SARS-CoV-2 Mpro inhibitor. The compound structure was drawn and optimized using density functional theory 3-21G method. The protein chosen was the high resolution of SARS-CoV-2 MPro receptor (1.45 Å) with PDB ID: 6WNP, in complex with boceprevir. Molecular docking simulation was performed using Autodock4 with 100 numbers of GA run, the validation methods assessed by RMSD calculation. Furthermore, the prediction of pharmacological activity spectra was carried out using the PASS Prediction server. The results showed RMSD value was 1.98 Å, this docking method was valid. The binding energy of all compounds showed better results than the native ligand (Boceprevir). The in silico PASS prediction results indicated that all compounds showed antiviral activity. Some compounds showed protease inhibitory activity, i.e Ambiphibine-H, Franganine, and Mauritine-A, and the highest Pa (Predicted activity) value showed by Mauritine-A compounds. It can be concluded that the cyclopeptide compounds of Zizyphus spina-christi were indicated to have a potential as COVID-19 therapy targeting SARS-CoV-2 Mpro.
Studi In Silico Aktivitas Analog Senyawa Zizyphine dari Bidara Arab (Zizyphus spina-christi) sebagai Antivirus SARS-CoV-2 terhadap Reseptor 3CLpro Taufik Muhammad Fakih; Firda Aulia Jannati; Annisa Meilani; Dwi Syah Fitra Ramadhan; Fitrianti Darusman
ALCHEMY Jurnal Penelitian Kimia Vol 18, No 1 (2022): March
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.18.1.52188.70-79

Abstract

COVID-19 merupakan penyakit yang penularannya human to human yang pertama kali ditemukan di China (Kota Wuhan). Tanaman bidara arab mengandung banyak metabolit sekunder yang bermanfaat, hasil fraksinasi dari buah bidara memiliki aktivitas sebagai antivirus yang signifikan terhadap virus herpes simpleks tipe 1. Tujuan penelitian ini adalah untuk mengetahui afinitas dan interaksi antara senyawa uji Zizyphine dengan reseptor 3CLpro secara in silico. Pada penelitian ini dilakukan identifikasi aktivitas biologis menggunakan PASS prediction dan sifat fisikokimia pada senyawa uji Zizyphine menggunakan webserver Swiss-ADME. Senyawa uji Zizyphine dioptimasi secara geometris menggunakan software Quantum ESPRESSO versi 6.6. Konformasi senyawa uji Zizyphine terbaik dilanjutkan ke tahap simulasi docking terhadap reseptor 3CLpro yang telah dipisahkan dengan ligan alaminya dan telah divalidasi menggunakan software MGL Tools versi 1.5.6 yang telah dilengkapi dengan Autodock Tools versi 4.2. Berdasarkan penelitian yang telah dilakukan dapat disimpulkan bahwa senyawa uji Zizyphine C memiliki afinitas yang lebih baik dibandingkan senyawa Zizyphine A, Zizyphine F, dan Zizyphine I dengan nilai energi bebas ikatan sebesar -9,32 kcal/mol dan konstanta inhibisi 146,89 nM, sehingga senyawa Zizyphine C berpotensi sebagai agen terapi COVID-19 yang bekerja terhadap reseptor 3CLpro. Selanjutnya dari hasil analisis aktivitas biologis, keseluruhan senyawa analog Zizyphine menunjukkan potensi sebagai antivirus. Akan tetapi dari prediksi ADME, senyawa-senyawa tersebut tidak menunjukkan profil yang baik sebagai obat oral.In Silico Study of Zizyphine Analog Compound Activity of Christ's Thorn Jujube (Zizyphus spina-christi) as SARS-CoV-2 Antivirus against 3CLpro Receptors. COVID-19 is a disease with human-to-human transmission that was first discovered in China (Wuhan City). The arabian bidara plant (Christ's Thorn Jujube) contains many useful secondary metabolites, fractionated from bidara fruit has significant antivirus activity against herpes simplex virus type 1. The purpose of this study was to determine the affinity and interaction between the Zizyphine test compound and the 3CLpro receptor through in silico. In this study, the identification of biological activity using PASS prediction and physicochemical properties of Zizyphine test compounds using the Swiss-ADME webserver. The Zizyphine test compound was optimized for geometry using Quantum ESPRESSO version 6.6 software. The conformation of the best Zizyphine test compound was continued to the docking simulation stage for the 3CLpro receptor which has been separated from its natural ligand and has been validated using MGL Tools version 1.5.6 with Autodock Tools version 4.2 software. Based on the results, it can be concluded that the test compound Zizyphine C has a better affinity than Zizyphine A, Zizyphine F, and Zizyphine I with a binding free energy value of -9.32 kcal/mol and inhibition constant of 146.89 nM. Therefore, the compound Zizyphine C has potential as a COVID-19 therapeutic agent that acts against the 3CLpro receptor. Furthermore, from the results of the analysis of biological activity, all Zizyphine analog compounds showed potential as antiviruses. However according to ADME predictions, these compounds did not show a good profile as oral drugs.
Kajian Metode Top Down dalam Pembuatan Nanokristal Obat Antidiabetika Oral Nina Renata; Fitrianti Darusman; Hanifa Rahma
Bandung Conference Series: Pharmacy 501 - 508
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29313/bcsp.v6i2.25145

Abstract

Abstract. Type 2 diabetes mellitus remains one of the most prevalent non-communicable diseases in Indonesia, and most first-line oral antidiabetic agents such as glibenclamide, glimepiride, and gliclazide belong to Biopharmaceutics Classification System (BCS) class II, characterized by poor aqueous solubility and consequently limited and variable oral bioavailability. Nanocrystal technology has emerged as a practical formulation strategy to overcome this limitation by reducing drug particle size to the nanometer range, thereby increasing the surface area available for dissolution. This article aims to review top-down methods used to produce nanocrystals of oral antidiabetic drugs through a literature review approach. Sources were obtained from international scientific databases, including PubMed, ScienceDirect, and MDPI, focusing on publications from the last ten years. The review shows that wet media milling and high-pressure homogenization are the most widely applied top-down techniques, either alone or combined with cocrystallization to form nano-cocrystals. Each method has distinct mechanisms, critical process parameters, and stabilizer requirements that determine the final particle size and dissolution performance. Overall, top-down nanocrystallization offers a scalable and solvent-minimal approach for improving the solubility, dissolution rate, and potential bioavailability of poorly soluble oral antidiabetic drugs. Abstract. Type 2 diabetes mellitus remains one of the most prevalent non-communicable diseases in Indonesia, and most first-line oral antidiabetic agents such as glibenclamide, glimepiride, and gliclazide belong to Biopharmaceutics Classification System (BCS) class II, characterized by poor aqueous solubility and consequently limited and variable oral bioavailability. Nanocrystal technology has emerged as a practical formulation strategy to overcome this limitation by reducing drug particle size to the nanometer range, thereby increasing the surface area available for dissolution. This article aims to review top-down methods used to produce nanocrystals of oral antidiabetic drugs through a literature review approach. Sources were obtained from international scientific databases, including PubMed, ScienceDirect, and MDPI, focusing on publications from the last ten years. The review shows that wet media milling and high-pressure homogenization are the most widely applied top-down techniques, either alone or combined with cocrystallization to form nano-cocrystals. Each method has distinct mechanisms, critical process parameters, and stabilizer requirements that determine the final particle size and dissolution performance. Overall, top-down nanocrystallization offers a scalable and solvent-minimal approach for improving the solubility, dissolution rate, and potential bioavailability of poorly soluble oral antidiabetic drugs. Abstrak. . Diabetes melitus tipe 2 masih menjadi salah satu penyakit tidak menular dengan prevalensi tertinggi di Indonesia, dan sebagian besar obat antidiabetika oral lini pertama seperti glibenklamid, glimepirid, dan gliklazid termasuk ke dalam Biopharmaceutics Classification System (BCS) kelas II yang memiliki kelarutan dalam air rendah sehingga bioavailabilitas oralnya terbatas dan bervariasi. Teknologi nanokristal menjadi salah satu strategi formulasi yang banyak dikembangkan untuk mengatasi keterbatasan tersebut dengan mengecilkan ukuran partikel obat hingga skala nanometer sehingga luas permukaan yang tersedia untuk disolusi meningkat. Artikel ini bertujuan untuk mengkaji metode-metode top-down yang digunakan dalam pembuatan nanokristal obat antidiabetika oral melalui pendekatan studi literatur. Sumber pustaka diperoleh dari basis data ilmiah internasional seperti PubMed, ScienceDirect, dan MDPI dengan fokus pada publikasi sepuluh tahun terakhir. Hasil kajian menunjukkan bahwa wet media milling dan high pressure homogenization merupakan teknik top-down yang paling banyak diterapkan, baik secara tunggal maupun dikombinasikan dengan pendekatan kokristalisasi untuk membentuk nano-kokristal. Setiap metode memiliki mekanisme, parameter proses kritis, dan kebutuhan stabilizer yang berbeda, yang menentukan ukuran partikel akhir serta kinerja disolusinya. Secara keseluruhan, nanokristalisasi top-down menawarkan pendekatan yang scalable dan minim pelarut untuk meningkatkan kelarutan, laju disolusi, dan potensi bioavailabilitas obat antidiabetika oral yang sukar larut.
Kajian Metode Bottom-Up pada Pembuatan Nanokristal Obat Antidiabetika Oral BCS Kelas II Santy Juliarti; Fitrianti Darusman; Hanifa Rahma
Bandung Conference Series: Pharmacy 527 - 534
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29313/bcsp.v6i2.25164

Abstract

Abstract. Oral antidiabetic drugs included in the Biopharmaceutics Classification System (BCS) class II have high permeability but low solubility, thus limiting the dissolution rate and oral bioavailability. One approach developed to overcome this problem is nanocrystal technology using the bottom-up method. This study aims to assess the effectiveness of the bottom-up method in the manufacture of nanocrystals of oral antidiabetic drugs BCS class II in improving physicochemical characteristics. This study was conducted using a literature review method of scientific articles obtained through Google Scholar, ResearchGate, and other scientific sources. Data were analyzed descriptively and presented in narrative form. The results of the study indicate that the bottom-up method is able to produce nanocrystals measuring less than 1000 nm, thereby increasing the specific surface area of ​​the particles, which has an impact on increasing solubility, dissolution rate, and potentially increasing oral bioavailability. The sonication-precipitation method is the most widely used method because it produces smaller particle sizes, a more homogeneous size distribution, and better stability. The success of this method is influenced by the selection of solvents, antisolvents, stabilizers, and process parameters. Thus, the bottom-up method is an effective approach in the development of BCS class II oral antidiabetic drug nanocrystals. Abstract. Oral antidiabetic drugs included in the Biopharmaceutics Classification System (BCS) class II have high permeability but low solubility, thus limiting the dissolution rate and oral bioavailability. One approach developed to overcome this problem is nanocrystal technology using the bottom-up method. This study aims to assess the effectiveness of the bottom-up method in the manufacture of nanocrystals of oral antidiabetic drugs BCS class II in improving physicochemical characteristics. This study was conducted using a literature review method of scientific articles obtained through Google Scholar, ResearchGate, and other scientific sources. Data were analyzed descriptively and presented in narrative form. The results of the study indicate that the bottom-up method is able to produce nanocrystals measuring less than 1000 nm, thereby increasing the specific surface area of ​​the particles, which has an impact on increasing solubility, dissolution rate, and potentially increasing oral bioavailability. The sonication-precipitation method is the most widely used method because it produces smaller particle sizes, a more homogeneous size distribution, and better stability. The success of this method is influenced by the selection of solvents, antisolvents, stabilizers, and process parameters. Thus, the bottom-up method is an effective approach in the development of BCS class II oral antidiabetic drug nanocrystals. Abstrak. Obat antidiabetika oral yang termasuk dalam Biopharmaceutics Classification System (BCS) kelas II yang memiliki permeabilitas tinggi, namun kelarutan rendah sehingga membatasi laju disolusi dan bioavailabilitas oral. Salah satu pendekatan yang dikembangkan untuk mengatasi permasalahan tersebut adalah teknologi nanokristal menggunakan metode bottom-up. Penelitian ini bertujuan untuk mengkaji efektivitas metode bottom-up dalam pembuatan nanokristal obat antidiabetika oral BCS kelas II terhadap peningkatan karakteristik fisikokimia. Penelitian ini dilakukan menggunakan metode literature review terhadap artikel ilmiah yang diperoleh melalui Google Scholar, ResearchGate, serta sumber ilmiah lainnya. Data dianalisis secara deskriptif dan disajikan dalam bentuk naratif. Hasil kajian menunjukkan bahwa metode bottom-up mampu menghasilkan nanokristal berukuran kurang dari 1000 nm sehingga mampu meningkatkan luas permukaan spesifik partikel, yang berdampak pada peningkatan kelarutan, laju disolusi, dan berpotensi meningkatkan bioavailabilitas oral. Metode sonikasi–presipitasi merupakan metode yang paling banyak digunakan karena menghasilkan ukuran partikel yang lebih kecil, distribusi ukuran yang lebih homogen, serta stabilitas yang lebih baik. Keberhasilan metode ini dipengaruhi oleh pemilihan pelarut, antisolvent, stabilizer, dan parameter proses. Dengan demikian, metode bottom-up merupakan pendekatan yang efektif dalam pengembangan nanokristal obat antidiabetika oral BCS kelas II.
Upaya Peningkatan Sifat Fisikokimia Metformin HCl Melalui Dispersi Padat Melissa Stefhani Cahyati; Fitrianti Darusman; Hanifa Rahma
Bandung Conference Series: Pharmacy 365-374
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29313/bcsp.v6i2.25142

Abstract

Abstract. Metformin hydrochloride is an oral antidiabetic drug classified as a Biopharmaceutics Classification System (BCS) class III compound, characterized by high solubility but low permeability. One of strategy to modify its physicochemical properties is the solid dispersion system. This study aimed to prepare metformin hydrochloride solid dispersions using Poloxamer 407 and Gelucire 50/13 throught the solvent evaporation method and to evaluate their effects on solubility and partition coefficient as the main physicochemical parameters. The formulations were evaluated by drug content, solubility, partition coefficient analysis, and characterization using FTIR, PXRD, and SEM-EDS. The result demonstrated that solid dispersions were succesfully prepared using both carriers. Characterization revelead changes in crystallinity and particle morphology without the formation of new functional groups. Solid dispersion prepared with Poloxamer 407 exhibited the greatest improvement in solubility compared with pure metformin hydrochloride. Therefore. The solid dispersion system successfully modified the physicochemical properties of metformin hydrochloride, with Poloxamer 407 being more effective in enchancing solubility and Gelucire 50/13 showing greater potential for improving lipophilic characteristics associated with drug permeabiliy. Abstrak. Metformin HCl merupakan obat antidiabetes oral yang termasuk dalam Biopharmaceutics Classification System (BCS) kelas III, yaitu memiliki kelarutan tinggi namun permeabilitas rendah. Salah satu upaya untuk meningkatkan sifat fisikokimia metformin HCl adalah melalui sistem dispersi padat menggunakan pembawa amfifilik. Penelitian ini bertujuan untuk membuat dispersi padat metformin HCl dengan Poloxamer 407 dan Gelucire® 50/13 menggunakan metode penguapan pelarut serta mengevaluasi pengaruhnya terhadap sifat fisikokimia. Evaluasi meliputi penetapan kadar, uji kelarutan pada dapar fosfat pH 6,8 dan pH 7,4, uji koefisien partisi, serta karakterisasi menggunakan Fourier Transform Infrared (FTIR), Powder X-Ray Diffraction (PXRD), dan Scanning Electron Microscopy–Energy Dispersive X-ray Spectroscopy (SEM-EDS). Hasil penelitian menunjukkan bahwa dispersi padat berhasil diformulasikan menggunakan kedua pembawa. Karakterisasi menunjukkan perubahan kristalinitas dan morfologi partikel tanpa terbentuk gugus fungsi baru. Dispersi padat menggunakan Poloxamer 407 memberikan peningkatan kelarutan tertinggi pada media dapar fosfat pH 6,8 dan pH 7,4 dibandingkan metformin murni, sedangkan Gelucire® 50/13 menghasilkan nilai koefisien partisi yang lebih tinggi sehingga menunjukkan peningkatan karakteristik lipofilik metformin HCl. Dengan demikian, sistem dispersi padat mampu memodifikasi sifat fisikokimia metformin HCl, di mana Poloxamer 407 lebih efektif meningkatkan kelarutan, sedangkan Gelucire® 50/13 lebih berpotensi meningkatkan karakteristik lipofilik yang berkaitan dengan permeabilitas.
Co-Authors Amila Amila Anan Suparman Anan Suparman Annisa Meilani Aprian Dwiatama Aprian Dwiatama Astrid Feinisa Khairani Aulia Fikri Hidayat Azyyati Adzhani Budi Prabowo Soewondo Cepy Hadiansyah Cepy Hadiansyah, Cepy Dara Azalea Wahdah Debby Prihasti Ayustine Dewi, Mentari Luthfika Dinnanda Yussepina Wulansari Dinnanda Yussepina Wulansari Dwi Oktariani Dwi Syah Fitra Ramadhan Dwiatama, Aprian Endah Rahayu Endah Rahayu, Endah Fia Siti Nopalia Firda Aulia Jannati Frida Anggita Amalia Gina Fuji Nurfarida Gita Cahya Eka Darma Hamdi Azwir, Hery Hanifa Rahma Hanifa Rahma Hanifa Rahma Hilda Aprilia, Hilda Hirawati Oemar Inayah Fitri Wulandari Inayah Fitri Wulandari Indra Topik Indra Topik, Indra Jihan Sahira Khodimul Haramain Khuza’i, Rodliyah Larasati Sofiyandini Legina Ayu Kusumah, Dea Linggih Elra Yerisy Marillia, Viola Mega Suryani Putri Melissa Stefhani Cahyati Mentari Lutfika Dewi Mentari Luthfika Dewi Millati Hanifa Suparno Muhamad Rizqy Maulana Muhammad Sultan Ramadhan Mutiara Haifania Nadya Azzahra Nawang Wulan Rachmatillah Prastowo Putri Niken Fitria Yuliar Nina Renata Nurrayyan Nurrayyan Nurrayyan, Nurrayyan Nyayu Ista Yulita Putri, Nawang Wulan Rachmatillah Prastowo Rachmat Mauludin Rachmat Mauludin Ratih Aryani, Ratih Riza Ramadhan Saadiya Noerman Sani Ega Priani Santy Juliarti Shannie Megaliane Silvi Sandi Putri Sitorus, Mido Ester Soewandhi, Sundani N Sundani N Soewandhi Syafanisa Alifia Rahma Syifa Nur Oktaviani Syifa Siti Fatimah Azzahro Syilfiana Anwar Taufik Muhammad Fakih Teti Sofia Yanti Tia Aulia Silvianti Triandri Permana Uci Ary Lantika Uci Ary Lantika Ulfa Siti M Viola Marillia Widad Aghnia Shalannandia Widad Aghnia Shalannandia Yan Orgianus Yukeu Fazriah Yukeu Fazriah, Yukeu Zalfa Ainun Rozak