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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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Journal : Journal of Innovative and Creativity

 1 
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 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