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All Journal Pharmaciana: Jurnal Kefarmasian Indonesian Journal of Pharmaceutical Science and Technology Jurnal Kreativitas PKM Abdimas Umtas : Jurnal Pengabdian kepada Masyarakat JURNAL FARMASI GALENIKA Abdimas Galuh: Jurnal Pengabdian Kepada Masyarakat Jurnal Pengabdian Masyarakat : Pemberdayaan, Inovasi dan Perubahan Jurnal Ilmu Medis Indonesia Journal Of Human And Education (JAHE) Jurnal Farmasi Klinik dan Sains Indonesian Research Journal on Education Madani: Multidisciplinary Scientific Journal Jurnal An-Najat: Jurnal Ilmu Farmasi dan Kesehatan Journal of Information System, Technology and Engineering Journal of Innovative and Creativity Obat: Jurnal Riset Ilmu Farmasi dan Kesehatan Journal of Public Health Science (JoPHS) Jurnal Kefarmasian Indonesia Journal of Pharmacopoeia Jurnal Ilmiah Ilmu Kesehatan
Saeful Amin, Saeful
Prodi Farmasi, STIKes Bakti Tunas Husada Tasikmalaya
Religion Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Decision Sciences, Operations Research & Management Dentistry Economics, Econometrics & Finance Education Energy Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Library & Information Science Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Nursing Physics Public Health Social Sciences Veterinary Other

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Bioinformatics Study: Molecular Docking of Cat Whiskers Flavonoid Compounds for the Development of Antidiabetic Candidates Amin, Saeful; Rusdaita, Febia Citraeni; Prasetiawati, Riska
Journal of Information System, Technology and Engineering Vol. 2 No. 4 (2024): JISTE
Publisher : Yayasan Gema Bina Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.61487/jiste.v2i4.112

Abstract

Diabetes mellitus is a chronic disease characterized by hyperglycemia. In silico studies have been done on flavonoid derivative compounds from the cat's whiskers plant (Orthosiphon stamineus Benth.) on protein tyrosine phosphatase 1B (2F70) and aldose reductase enzymes (4YVP and 4YVX) to see if they can be used as diabetes medicines. The molecular docking of the test compounds found three that were more active than the comparison ligands. One of these was the luteolin compound, which can stop the Protein Tyrosine Phosphatase 1B receptor from working with an ∆G value of -8.05 kcal/mol and a Ki value of 1.25 µM by forming amino acid residues. SER A: 216, ARG A: 221, ALA A: 217, VAL A: 490, TYR A: 46, and ASP A: 181 show that the sinensetin compound can stop the aldose reductase enzyme from working, working with a ∆G value of -7.72 kcal/mol and a Ki value of 2.19 µM to form amino acid residues. ALA B: 25, GLU B: 224, LEU B: 54, HIS B: 222, TRP B: 227, and the 6-hydroxy-5,7,4'-trimethoxyflavone compound can stop the aldose reductase enzyme from working (∆G value of -7.02 kcal/mol, Ki 7.14 µM), which creates amino acid residues. HIS B:117, TYR B:55, SER B:217, PHE B:306. Based on the analysis of these compounds, they exhibit good physicochemical and pharmacokinetic profiles. Additionally, the toxicity analysis confirms that none of these compounds are mutagenic, carcinogenic, or harmful to humans.
Antioxidant Activity of Bawang Lanang (Allium sativum) as a Natural Product-Based Drug Candidate: A Potential Pharmacological Review Auliya, Shafa; Amin, Saeful
Jurnal Farmasi Klinik dan Sains Vol 5, No 1 (2025): Jurnal Farmasi Klinik dan Sains
Publisher : Lembaga Penelitian dan Pengabdian Masyarakat Universitas Muhammadiyah Gombong

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26753/jfks.v5i1.1599

Abstract

Developing natural product-based drugs with antioxidant activity represents a promising field in medicinal chemistry. This research aims to examine the potential of bawang lanang (Allium sativum) as a source of natural antioxidants that can be developed into drug candidates. The review method employs a systematic analysis approach to research related to the antioxidant activity of bawang lanang, biochemical mechanisms, and development prospects in medicinal chemistry. The results showed that the ethanol extract of bawang lanang bulbs has strong antioxidant activity with an IC₅₀ value of 13.85 ppm. In comparison, the ethyl acetate fraction exhibits higher activity with an IC₅₀ of 7.27 ppm. Phytochemical analysis identified the presence of flavonoids, saponins, and tannins that contribute to antioxidant activity. The antioxidant potential of bawang lanang is estimated to derive from organosulfur components, especially allicin and its derivatives, which can scavenge DPPH free radicals. Structural modification of bawang lanang bioactive compounds through medicinal chemistry approaches can potentially improve bioavailability and reduce side effects. In conclusion, bawang lanang has great prospects for development as an antioxidant drug through medicinal chemistry approaches with optimization of active compound structures, pharmacokinetic studies, and toxicity evaluation.
SOSIALISASI DAN EDUKASI PENGETAHUAN KONSUMSI MAKANAN SERTA OBAT-OBATAN SEBAGAI FAKTOR ASAM URAT PADA PASIEN DI PUSKESMAS RANCAH KABUPATEN CIAMIS Yuliana, Anna; Shaleha, Resha Resmawati; Amin, Saeful; Rahmiyani, Ira; Pebiansyah, Anisa; Zain, Dichy Nuryadin; Hidayat, Taufik; Alifiar, Ilham
Abdimas Galuh Vol 5, No 2 (2023): September 2023
Publisher : Universitas Galuh

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25157/ag.v5i2.10431

Abstract

Salah satu gangguan kesehatan yang diderita oleh masyarakat yaitu peningkatan kadar asam urat. Asam urat merupakan bagian normal dari darah dan urin. Asam urat dihasilkan dari pemecahan dan sisa-sisa pembuangan dari bahan makanan tertentu yang mengandung nukleutida purin atau berasal dari nukleutida purin yang diproduksi oleh tubuh. Jika pola makan tidak tepat, maka kadar asam urat yang berlebihan dalam darah akan terjadi penumpukan kristal asam urat, sehingga akan terjadi nyeri hebat yang timbul secara mendadak. Pengabdian masyarakat ini bertujuan untuk mengetahui apakah pola makan, obat-obatan, dan tingkat pengetahuan berpengaruh terhadap kadar asam urat. Kurangnya pemahaman dan pengetahuan terkait penyakit asam urat dan penyebabnya ini mendorong dosen dan mahasiswa Universitas Bakti Tunas Husada untuk melakukan pengabdian masyarakat di Puskesmas Rancah Kabupaten Ciamis. Metode yang digunakan yaitu sosialisasi dengan melakukan penyebaran poster, pemberian kuesioner dan edukasi. Peserta yang mengikuti sebanyak 87 pasien yang sedang melakukan rawat jalan di Puskesmas Rancah Kabupaten Ciamis dengan diberikan kuesioner secara pre-test dan  post-test sebanyak 5 pertanyaan terkait penyakit asam urat.
Pendekatan In Silico dalam Penemuan Senyawa Bioaktif Tanaman sebagai Kandidat Obat Antidiabetes Fatihatul Makia, Fina; Amin, Saeful
OBAT: Jurnal Riset Ilmu Farmasi dan Kesehatan Vol. 3 No. 6 (2025): November: OBAT: Jurnal Riset Ilmu Farmasi dan Kesehatan
Publisher : Asosiasi Riset Ilmu Kesehatan Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.61132/obat.v3i6.1887

Abstract

This paper presents a narrative review focusing on the significance of in silico methodologies in identifying and evaluating natural bioactive compounds as promising antidiabetic agents. By examining scientific publications from 2020 to 2025, the review highlights substantial evidence that various plant-derived metabolites such as flavonoids, phenolic acids, terpenoids, and glycosides from Orthosiphon stamineus, Moringa oleifera, Syzygium polyanthum, Tinospora crispa, and Albizia saman demonstrate notable affinity toward several crucial enzymes implicated in type 2 diabetes, including DPP-4, SGLT-2, α-glucosidase, and PTP1B. Findings from molecular docking analyses and ADMET simulations indicate that many of these compounds exhibit favorable pharmacokinetic behavior, strong receptor interactions, and minimal toxicity, suggesting their potential as multitarget natural therapeutics with synergistic modes of action. Utilizing in silico screening as an initial step effectively predicts biological activity and pharmacological profiles prior to experimental validation through in vitro and in vivo testing, thus reducing both time and research expenditure. The synergy between computational modeling, medicinal chemistry, and phytochemical exploration establishes a scientific framework that supports the advancement of rational, safe, and sustainable herbal-based antidiabetic drug development derived from Indonesia’s vast biodiversity and encourages self-reliance within the national pharmaceutical sector.
Literature Review: Eksplorasi Senyawa Flavonoid Dari Tanaman Obat Tropis Sebagai Inhibitor Protease SARS-CoV-2 Melalui Studi Molecular Docking Nadhira Alika Putri; Amin, Saeful
An-Najat Vol. 3 No. 4 (2025): November: An-Najat : Jurnal Ilmu Farmasi dan Kesehatan
Publisher : STIKes Ibnu Sina Ajibarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.59841/an-najat.v3i4.3410

Abstract

Pandemi COVID-19 yang disebabkan oleh SARS-CoV-2 menimbulkan kebutuhan mendesak akan terapi baru yang efektif selain vaksin. Salah satu target potensial dalam pengembangan obat antivirus adalah enzim main protease (M^pro), yang berperan penting dalam replikasi virus. Flavonoid, senyawa polifenol alami yang banyak terdapat pada tanaman obat tropis, diketahui memiliki aktivitas biologis luas termasuk sebagai antivirus. Kajian literatur ini bertujuan mengeksplorasi potensi flavonoid dari tanaman obat tropis sebagai inhibitor Mpro SARS-CoV-2 melalui pendekatan molecular docking. Analisis dilakukan terhadap enam penelitian terkini (2020–2024) yang menggunakan metode virtual screening, molecular dynamics, dan prediksi ADMET. Hasil menunjukkan bahwa flavonoid seperti quercetin, rutin, naringin, hesperidin, dan kaempferol memiliki energi ikatan tinggi (−8,0 hingga −9,5 kcal/mol) serta berinteraksi kuat dengan residu katalitik HIS41, CYS145, dan GLU166. Beberapa senyawa juga menunjukkan stabilitas kompleks tinggi dan profil ADMET yang baik, menandakan potensi penghambatan yang efektif. Selain itu, sebagian flavonoid memiliki efek multi-target terhadap PLpro, Spike, dan RdRp, serta aktivitas antiinflamasi yang mendukung penurunan replikasi virus dan respon imun berlebihan. Namun, kendala seperti bioavailabilitas rendah masih menjadi tantangan, sehingga diperlukan inovasi formulasi dan uji lanjutan in vitro maupun in vivo. Secara keseluruhan, flavonoid dari tanaman obat tropis berpotensi kuat sebagai kandidat inhibitor alami terhadap SARS-CoV-2 yang menjanjikan untuk dikembangkan dalam terapi antivirus berbasis bahan alam.
Flavonoid Sebagai Agen Antikanker: Tinjauan Kimia Medisinal Dan Aktivitas Biologis Ramdhiani, Nova Dwi; Amin, Saeful
An-Najat Vol. 3 No. 4 (2025): November: An-Najat : Jurnal Ilmu Farmasi dan Kesehatan
Publisher : STIKes Ibnu Sina Ajibarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.59841/an-najat.v3i4.3411

Abstract

Kanker merupakan salah satu penyebab utama kematian di dunia dan menjadi masalah kesehatan yang terus meningkat. Terapi konvensional sering menimbulkan efek samping serta resistensi obat, sehingga diperlukan alternatif berbasis bahan alam yang lebih aman dan efektif. Flavonoid, kelompok senyawa polifenolik yang banyak ditemukan dalam tanaman tropis termasuk spesies lokal Indonesia, menunjukkan potensi sebagai agen antikanker alami. Artikel ini merupakan kajian pustaka yang menelaah aktivitas biologis flavonoid serta mekanisme kerjanya berdasarkan berbagai penelitian in vitro dan in silico. Hasil telaah menunjukkan bahwa flavonoid memiliki aktivitas antikanker melalui penghambatan proliferasi, induksi apoptosis, penekanan angiogenesis, serta peningkatan kapasitas antioksidan. Beberapa penelitian terhadap tanaman lokal seperti Caulerpa racemosa, Sargassum ilicifolium, dan Ischaemum rugosum memperlihatkan aktivitas sitotoksik yang tinggi terhadap sel kanker. Potensi tersebut memperkuat peluang pengembangan flavonoid sebagai kandidat obat antikanker berbasis bahan alam. Namun, bioavailabilitas yang rendah dan kestabilan metabolik masih menjadi tantangan yang perlu diteliti lebih lanjut melalui pendekatan formulasi dan uji pra-klinis.
Peran Senyawa Bioaktif Dan Pendekatan Komputasi Dalam Desain Obat Modern: Tinjauan Kimia Medisinal Amin, Saeful; Dhata, Khayra Revaline Aulya; Firdaus, Renno Zikrya; Ramdani, Muhammad Nabil
Journal of Innovative and Creativity Vol. 6 No. 2 (2026)
Publisher : Fakultas Ilmu Pendidikan Universitas Pahlawan Tuanku Tambusai

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/joecy.v6i2.10420

Abstract

The advancement of modern medicinal chemistry is marked by a paradigm shift from conventional experimental approaches toward data-driven integration combining bioactive compound exploration and advanced computational technologies. This transformation is driven by the high cost, time consumption, and failure rates in the drug discovery process, necessitating more efficient and predictive strategies. This study aims to systematically and comprehensively examine the role of bioactive compounds and computational approaches in modern drug design, while also identifying the contributions, strengths, and limitations of each approach. The method employed is a descriptive-qualitative literature review of 15 relevant reputable scientific journals, analyzed through selection, thematic classification, and data synthesis based on structure–activity relationships and computational methodologies.The findings indicate that bioactive compounds derived from natural sources, such as flavonoids, alkaloids, and terpenoids, play a strategic role as lead compounds due to their structural diversity and broad pharmacological activities, despite challenges related to bioavailability and stability. Computational approaches, including molecular docking, quantitative structure–activity relationship (QSAR), and artificial intelligence (AI), have proven to enhance efficiency and accuracy in the identification, prediction, and optimization of drug candidates through molecular interaction simulations and data-driven predictive modeling. Furthermore, the integration of in silico and in vitro approaches serves as a critical framework for validating biological activity and reducing the risk of failure in later development stages.Overall, these findings highlight that no single method is sufficient on its own; instead, an integrated multidisciplinary approach is required to achieve more rational, selective, and sustainable drug design. Therefore, the synergy between bioactive compound exploration and data-driven computational technologies constitutes a fundamental foundation for the future development of innovative and efficient medicinal chemistry.
Integrasi Senyawa Alam Dan Teknologi Komputasi Dalam Pengembangan Obat Modern: Tinjauan Kimia Medisinal Amin, Saeful; Chahyani, Shahila Nor; Ariyanti, Ira Akhira; ma'aruf, Muhammad alliful
Journal of Innovative and Creativity Vol. 6 No. 2 (2026)
Publisher : Fakultas Ilmu Pendidikan Universitas Pahlawan Tuanku Tambusai

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/joecy.v6i2.10421

Abstract

The rapid evolution of modern medicinal chemistry has increasingly transcended traditional trial-and-error methodologies, embracing a more integrative paradigm that combines the exploration of bioactive natural compounds with advanced computational technologies. This study aims to critically examine the significance of such integration in contemporary drug development by analyzing 15 scientific publications, comprising 10 peer-reviewed international journals and 5 scholarly works by Saeful Amin. Employing a descriptive-qualitative literature review approach, this research synthesizes current findings to identify emerging trends, methodological advancements, and their implications for pharmaceutical innovation. The results reveal that natural compounds including flavonoids, alkaloids, and terpenoids exhibit remarkable potential as lead compounds due to their extensive structural diversity, evolutionary optimization, and broad-spectrum biological activities. Concurrently, computational techniques such as molecular docking, quantitative structure–activity relationship (QSAR) modeling, and artificial intelligence (AI)-driven drug design significantly enhance the efficiency, precision, and predictive capacity of drug discovery processes. Moreover, the synergistic integration of in silico simulations with in vitro experimental validation is shown to be pivotal in accelerating lead identification, optimizing pharmacokinetic properties, and reducing the risk of late-stage drug failure. In conclusion, the convergence of natural product research and computational methodologies represents a transformative strategy in modern medicinal chemistry, enabling the development of more effective, targeted, and sustainable therapeutic agents while addressing the growing complexity and cost of pharmaceutical research.
In Silico Senyawa Bahan Alam Sebagai Kandidat Lead Compound Antikanker Payudara: Sebuah Tinjauan Literatur Amin, Saeful; Albar, Haikhal Mohammad; Almulki, Muhamad Fathir; Nazilaturrohmah, Dini
Journal of Innovative and Creativity Vol. 6 No. 2 (2026)
Publisher : Fakultas Ilmu Pendidikan Universitas Pahlawan Tuanku Tambusai

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/joecy.v6i2.10641

Abstract

Kanker payudara masih menjadi masalah kesehatan global dengan angka kematian tinggi, sedangkan terapi konvensional sering menimbulkan efek samping karena kurang selektif terhadap sel target. Keanekaragaman hayati memiliki potensi besar sebagai sumber senyawa antikanker dari metabolit sekunder tumbuhan. Penelitian ini meninjau berbagai senyawa aktif bahan alam yang berpotensi dikembangkan sebagai lead compound melalui pendekatan kimia medisinal komputasi. Metode penelitian dilakukan melalui studi literatur in silico yang mencakup molecular docking, simulasi dinamika molekuler, dan analisis ADMET. Hasil penelitian menunjukkan bahwa turunan flavonoid seperti kuersetin, kaempferol, galangin, dan skutelarein, xanton kulit manggis, steroid genus Chisocheton, serta metabolit kelor dan bawang putih memiliki afinitas pengikatan kuat terhadap reseptor ER-α, HER2, dan Sirtuin 1. Selain itu, gamma-glutamyl-phenylalanine dan beberapa senyawa steroid menunjukkan stabilitas energi bebas pengikatan yang lebih baik dibandingkan tamoksifen. Temuan ini menunjukkan bahwa senyawa bahan alam berpotensi dikembangkan sebagai antikanker payudara dan layak diteliti lebih lanjut melalui pengujian in vitro maupun in vivo. Hasil tersebut memberikan dasar ilmiah bagi pengembangan obat antikanker yang lebih efektif, aman, dan selektif berbasis kekayaan alam lokal untuk mendukung terapi kanker payudara di masa mendatang.
Co-Authors Abdurrahman, Muhammad Iqmal Afifah, Fitri Nur Aisyah, Rohmah Ala Anistia Widya Albar, Haikhal Mohammad Allita, Nur Almulki, Muhamad Fathir Amelya, Risna Anisa, Anis Anna Yuliana, Anna Annisa, Hilma Tri Apriliani, Cici Ardian, Mohamad Idwar Ariyanti, Ira Akhira Arman, Siti Alisa Assafa, Zifa Athaya, Rahil Auliya, Shafa Awalia, Najla Nisa Az Zahra, Siti Zulfa Azijah, Rachma Nur Azzahra, Shafa Meyliana Chahyani, Shahila Nor Claudya, Stefanie De Hiban Fauzan Mabruro Destian, Lufi Dhata, Khayra Revaline Aulya Fadli Fadli Fajrin, Ari Muhammad Fatihatul Makia, Fina Fauzi, Rifqi Ahmad Febriana Nur Anggraeni Firdaus, Renno Zikrya Fitri, Nabila Ainul Fitria, Annisya Ahya Friana, Derina Agus Fuadah, Iga Syamratul Gunawan, Febrianti Rizki Guspiana, Rudi Hasanah, Muna Shintya Heppi Syofya, Heppi Herawati, Tantri Herdianti, Nita Heryanto, Popih Huda, Dian Fitri Kulyatul Hurry, Zulfan Alfairuz Zabbady Husen, Desinta Nurohman Ibadurrahman, Rifki Ilham Alifiar, Ilham Imani, Anneu Deanti Ira Rahmiyani Jannah, Isma Aenul Judijanto, Loso Justicia, Adhisty Kharisma Jutti Levita Khaerina, Yunisa Kurniawan, Yoga Sugama Kushariyadi Kusumadewi, Fitria Balqis M, Maesaroh ma'aruf, Muhammad alliful Maharani, Cici Maharani, Komang Dewi Maria, Hana Diana Meilani, Yeni Muhtar, Nenden Laila Nurafifah Mulhimah, Ai Mustafidah, Syifa Nabila, Nazelia Saila Nabila, Tiana Zulfa Nadhira Alika Putri Nazilaturrohmah, Dini Neng Widy Widiyawati Nurahman, Rima Putri Nurassyifa, Reva Puspa Rizkia Nurcahya, Eulis Paridah, Dea Nur Pebiansyah, Anisa Pitara, Devi Pujiyani, Delya Putri, Listya Nurina Rahmawati, Desti Rais, Rinovian Ramdani, Muhammad Nabil Ramdhiani, Nova Dwi Rangga Pratama, Andi Riedho Prima Cahya Riesna Apramilda Riska Prasetiawati, Riska Rizky Pratama Putra Rusdaita, Febia Citraeni Rusiyana, Nisrina Putri Salimah, Suci Intan Salsabila Adlina Saputra, Erwin Yuliana Satria, Deagi Taufik Shaleha, Resha Resmawati Slamet Ibrahim - Soegeng Wahyoedi Sophi Damayanti Sri Adi Sumiwi Sudrajat, Nisya Aulia Rahmatillah Sumantri, Tri Adi Sumardiawan, Dhiyaa Kaamilah Supriatna, Galuh Taruna Syamsudin, Atasya Taufik Hidayat Tia Setiawati Wardiah, Shelya Nurul Wibisono, Mohammad Alfin Wihdatunnisa, Imelda Yuliani, Renny Yulianingsih, Tipani Sri Yulianingsih Yustianti, Fitria Zahra, Hanum Nurannisa Zahra, Naila Maulida Zain, Dichy Nuryadin Ziani, Ziani