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All Journal Pharmaciana: Jurnal Kefarmasian Indonesian Journal of Pharmaceutical Science and Technology JMM (Jurnal Masyarakat Mandiri) Jurnal Kreativitas PKM Abdimas Umtas : Jurnal Pengabdian kepada Masyarakat JURNAL FARMASI GALENIKA JURNAL FARMASIMED (JFM) Abdimas Galuh: Jurnal Pengabdian Kepada Masyarakat Jurnal Media Informatika 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 International Journal of Health, Engineering and Technology 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 Borneo Journal of Pharmacy Journal of Public Health Science (JoPHS) Jurnal Kefarmasian Indonesia Journal of Pharmacopoeia Jurnal Ilmiah Ilmu Kesehatan World Health Digital Journal (wolgitj)
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 Engineering 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 Mechanical Engineering Medicine & Pharmacology Nursing Physics Public Health Social Sciences Veterinary Other

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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.
Kelor (Moringa oleifera) Bioactive Compounds as Potential Anti-Breast Cancer Agents: In Silico Studies Amin, Saeful; Sheryl, Vanessa Angelica; Aprillia, Ade Yeni; Pebiansyah, Anisa
Borneo Journal of Pharmacy Vol. 8 No. 4 (2025): 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.v8i4.7435

Abstract

Breast cancer is the most common type of cancer in women. Kelor (Moringa oleifera) leaves are a plant with medicinal properties for treatment. This study aimed to determine the activity and identify the metabolite compounds of M. oleifera leaves that are more effective and stable at the estrogen receptor (ER), potentially serving as an anticancer agent for breast cancer. The methods employed are computational studies, including molecular docking, PKCSM tests, and molecular dynamics simulations. The results of a computational molecular docking study of 23 M. oleifera leaf compounds identified the three best compounds from the docking results of the best ER genistein compounds on the 1QKM receptor, as well as genistein and luteolin compounds on the 1X7J receptor, all with low free energy values. From the pkCSM test of 23 compounds, three compounds were selected that showed good absorbance and distribution, and the toxicity prediction indicated that one compound did not exhibit hepatotoxicity. Molecular dynamics results for the Luteolin 1X7J compound, simulated for 100 ns, showed lower and more stable RMSD and RMSF values compared to those of compounds on the ER.
OPTIMALISASI STRUKTUR MOLEKULER MELALUI KIMIA MEDISINAL: STRATEGI INOVATIF UNTUK MENGATASI RESISTENSI OBAT PADA PENYAKIT INFEKSI MODERN Amin, Saeful; Fernanda, Refa
Journal of Public Health Science Vol. 2 No. 4 (2025): Desember
Publisher : Yayasan Nuraini Ibrahim Mandiri

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70248/jophs.v2i4.2188

Abstract

Kimia medisinal memainkan peran kunci dalam pengembangan obat melalui sintesis senyawa bioaktif untuk terapi penyakit kompleks. Tinjauan ini menganalisis metode sintesis senyawa bioaktif, dengan fokus pada strategi modern seperti sintesis organik, biokatalisis, kimia hijau, dan pendekatan berbasis komputasi. Penelitian dilakukan melalui tinjauan sistematis literatur dari PubMed, Scopus, dan Web of Science (2015–2024). Hasil menunjukkan bahwa katalis heterogen, enzim biokatalitik, dan desain berbantuan komputer meningkatkan efisiensi dan keberlanjutan sintesis. Tantangan seperti skalabilitas dan dampak lingkungan tetap menjadi hambatan. Pembahasan menyoroti potensi pendekatan hibrida untuk mengatasi keterbatasan ini. Kesimpulan menekankan perlunya integrasi teknologi inovatif untuk mempercepat pengembangan obat yang efektif dan ramah lingkungan.
Review Artikel: Potensi Senyawa Alam Dan Sintetik Sebagai Kandidat Antikanker Payudara In Silico: Pendahuluan, Metodelogi Penelitian, Hasil dan Pembahasan, Kesimpulan, Ucapan Terimakasih, References Nurliawati, Fadhillathul; Alya, Elsa; Amin, Saeful
Jurnal Media Informatika Vol. 6 No. 6 (2025): Edisi Desember 2025
Publisher : Lembaga Dongan Dosen

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55338/jumin.v6i6.7434

Abstract

Kanker payudara masih menjadi persoalan kesehatan global yang serius, dan kebutuhan akan agen terapeutik baru yang lebih efektif serta aman tetap mendesak. Studi ini menelaah potensi beberapa senyawa nabati seperti andrographolide, kuersetin, taxifolin, cafestol, apigenin, mangiferin, sesamin, gingerol, dan zingiberene menggunakan pendekatan in silico. Penilaian dimulai dengan evaluasi karakteristik fisikokimia melalui Swiss Absorption, Distribution, Metabolism, and Excretion (SwissADME), lalu dilanjutkan dengan prediksi profil absorpsi, distribusi, metabolisme, ekskresi, dan toksisitas menggunakan pkCSM, PreADMET, serta Toxtree. Analisis struktural mencakup optimasi geometri molekul dan penyaringan farmakofor untuk mengidentifikasi fragmen aktif, disertai validasi protokol docking melalui perhitungan Root Mean Square Deviation. Simulasi pengikatan molekul dilakukan dengan AutoDock dan SwissDock, sementara hasil pengikatan divisualisasikan menggunakan PyMOL, Discovery Studio, dan LigPlot+ untuk memetakan interaksi residu target. Hasil menunjukkan bahwa beberapa senyawa memiliki energi pengikatan yang menguntungkan dan membentuk interaksi hidrogen yang stabil pada situs aktif. Beberapa molekul juga memenuhi kriteria Lipinski’s Rule of Five dan menunjukkan profil ADMET yang menjanjikan. Berdasarkan temuan ini, senyawa-senyawa alami tersebut layak dipertimbangkan sebagai kandidat awal untuk pengembangan terapi kanker payudara, namun uji lanjutan secara in vitro dan in vivo diperlukan untuk memastikan efektivitas serta keamanan farmakologinya.
PENYULUHAN PENCEGAHAN DBD DI PC PERSISTRI KOTA TASIKMALAYA Zain, Dichy Nuryadin; Pebiansyah, Anisa; Yuliana, Anna; Amin, Saeful; Rahmiyani, Ira; Alifiar, Ilham; Hidayat, Taufik; Shaleha, Resha Resmawati
JMM (Jurnal Masyarakat Mandiri) Vol 8, No 3 (2024): Juni
Publisher : Universitas Muhammadiyah Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31764/jmm.v8i3.23025

Abstract

Abstrak: Demam Berdarah Dengue (DBD) merupakan salah satu masalah kesehatan di Indonesia yang disebabkan oleh virus dengue dan ditandai dengan tingginya jumlah nyamuk Aedes aegypti, sehingga mempengaruhi lingkungan dan kemampuan masyarakat dalam mengendalikan penularan DBD di suatu wilayah. Tujuan penyuluhan ini adalah peningkatan pengetahuan dan kesadaran masyarakat dalam mencegah penularan DBD. Proses penyuluhan mencakup persiapan, instruksi edukasi DBD, pengenalan aplikasi android RESIX, pemasangan paket tempat sampah, penyerahan alat kebersihan, diskusi dan evaluasi kegiatan melalui kuisioner pretest dan postest yang terdiri dari lima soal pada 110 ibu-ibu di PC Persistri Kota Tasikmalaya. Hasil evaluasi menunjukkan pengetahuan tentang DBD meningkat secara signifikan, dengan peningkatan skor sebesar 24.43%.Abstract: Blood dengue fever is a health problem in Indonesia that is part of a type of infectious disease caused by the dengue virus and is transmitted through aegypti mosquito bite characterized by high heat.Environmental factors as well as the role of society in the efforts to prevent the occurrence of DBD disease are closely related to the occurrence of DBD in a region.The purpose of this dissemination is to increase public knowledge and awareness in preventing the transmission of DBD.Preparation methods include preparation, DBD education, Introduction to Android Resix, Installation of garbage packages, submission of hygiene equipment as well as discussion and evaluation of activities through a pretest and postest query of up to 5 questions on 110 persistry PC mothers.The evaluation results showed a significant increase in knowledge of DBD with an increase in score by 24.43%.
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.
Review Of Natural Compounds And Medicinal Chemistry Approaches In Drug Development Amin, Saeful; Hilna Putri Herlina; Wulandari Wulandari; Miela Agustin
International Journal of Health Engineering and Technology Vol. 5 No. 1 (2026): IJHET MAY 2026
Publisher : CV. AFDIFAL MAJU BERKAH

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55227/ijhet.v5i1.844

Abstract

The increasing prevalence of degenerative and infectious diseases has encouraged the development of more effective, selective, and safer therapeutic agents. Natural compounds and medicinal chemistry approaches have demonstrated considerable potential in modern drug discovery due to their diverse pharmacological activities and structural complexity. This study aims to review the role of bioactive   natural compounds and computational approaches in contemporary drug development. The method employed was a literature review based on recent scientific publications discussing medicinal chemistry, molecular docking, quantitative structure–activity relationship analysis, artificial intelligence-assisted drug design, and nanoformulation strategies. The findings indicate that several natural compounds, particularly flavonoids and quercetin, exhibit promising anticancer, antidiabetic, antioxidant, and antibacterial activities through interactions with various biological targets. Computational approaches such as molecular docking, virtual screening, predictive modeling, and deep QSAR were shown to improve the efficiency of lead identification and molecular optimization. Furthermore, nanoformulation systems contribute to enhancing bioavailability, molecular stability, and therapeutic effectiveness of bioactive compounds. Despite these advantages, challenges including compound complexity, ADMET limitations, and the necessity for experimental validation remain important considerations in drug development. In conclusion, the integration of natural compounds, medicinal chemistry, and computational technologies provides significant opportunities for accelerating and optimizing modern drug discovery and development.
Co-Authors Abdurrahman, Muhammad Iqmal Afifah, Fitri Nur Aisyah, Rohmah Ala Anistia Widya Albar, Haikhal Mohammad Allita, Nur Almulki, Muhamad Fathir Alya, Elsa Amelya, Isti Nisa Amelya, Risna Anisa, Anis Anna Yuliana, Anna Annisa, Hilma Tri Ansyirohanisa Apriliani, Cici Aprillia, Ade Yeni 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 Beni Maulana Habib Cahya, Nabilla Amelia Chahyani, Shahila Nor Claudya, Stefanie De Hiban Fauzan Mabruro Destian, Lufi Dhata, Khayra Revaline Aulya Fadli Fadli Fajarini, Syifa Rizkia Fajrin, Ari Muhammad Fatihatul Makia, Fina Fauzi, Rifqi Ahmad Febriana Nur Anggraeni Fernanda, Refa Firdaus, Renno Zikrya Fitri, Nabila Ainul Fitria, Annisya Ahya Friana, Derina Agus Fuadah, Iga Syamratul GUNAWAN, ADRI Gunawan, Febrianti Rizki Guspiana, Rudi Hasanah, Muna Shintya Heppi Syofya, Heppi Herawati, Tantri Herdianti, Nita Heryanto, Popih Hilna Putri Herlina 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 Lansini, Sinka M, Maesaroh ma'aruf, Muhammad alliful Maharani, Cici Maharani, Komang Dewi Maria, Hana Diana Meilani, Yeni Miela Agustin Muhammad Rahmat Darmawan Muhtar, Nenden Laila Nurafifah Mulhimah, Ai Mustafidah, Syifa Nabila, Nazelia Saila Nabila, Tiana Zulfa Nabila, Yesita Yumna Nadhira Alika Putri Nazilaturrohmah, Dini Neng Widy Widiyawati Nurahman, Rima Putri Nurassyifa, Reva Puspa Rizkia Nurcahya, Eulis Nurliawati, Fadhillathul Paridah, Dea Nur Pebiansyah, Anisa Pitara, Devi Pujiyani, Delya Putri, Listya Nurina Rachmat, Shinta Widia 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 Sheryl, Vanessa Angelica 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 Weguna, Asti Awaliyah Wibisono, Mohammad Alfin Wihdatunnisa, Imelda Wulandari Wulandari Yuliani, Renny Yulianingsih, Tipani Sri Yulianingsih Yustianti, Fitria Zahra, Hanum Nurannisa Zahra, Naila Maulida Zain, Dichy Nuryadin Ziani, Ziani