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All Journal JSKK (Jurnal Sains Keolahragaan dan Kesehatan) JURNAL FARMASIMED (JFM) Pharmaceutical And Biomedical Sciences Journal (PBSJ) Jurnal Kolaboratif Sains Jurnal Riset Rumpun Ilmu Kedokteran (JURRIKE) Jurnal Riset Rumpun Ilmu Kesehatan (JURRIKES) Jurnal Sains dan Ilmu Terapan Jurnal Riset Ilmu Kesehatan Umum dan Farmasi Journal of Innovative and Creativity Jurnal Kesehatan Bakti Tunas Husada Obat: Jurnal Riset Ilmu Farmasi dan Kesehatan Journal of Public Health Science (JoPHS) Galen: Jurnal Ilmu Farmasi dan Kesehatan
Saeful Amin
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Literatur Review: Strategi dan Perkembangan Computer-Aided Drug Design (Cadd) untuk Identifikasi Lead Compound Antikanker dalam Konteks Kimia Medisinal dan Farmasi Nurul Sulistia Azzahra; Saeful Amin
Jurnal Riset Ilmu Kesehatan Umum dan Farmasi (JRIKUF) Vol. 3 No. 4 (2025): Oktober : Jurnal Riset Ilmu Kesehatan Umum dan Farmasi (JRIKUF)
Publisher : LPPM STIKES KESETIAKAWANAN SOSIAL INDONESIA

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.57213/jrikuf.v3i4.875

Abstract

Cancer remains the second leading cause of death worldwide, while conventional therapies are often limited by toxicity, resistance, and high costs. Advances in bioinformatics and artificial intelligence have established Computer-Aided Drug Design (CADD) as an efficient tool for modern drug discovery. Integrating medicinal chemistry, structural biology, and computational modeling, CADD accelerates the identification and optimization of anticancer candidates through in silico approaches such as molecular docking, molecular dynamics, QSAR, and pharmacophore modeling. This review systematically analyzed literature from PubMed, ScienceDirect, ResearchGate, and Google Scholar (2015–2025) focusing on in silico studies related to anticancer drug design. Selected articles were evaluated based on molecular targets, compound types, CADD techniques, and major findings.The results reveal that CADD effectively identifies natural and synthetic compounds targeting key cancer proteins including EGFR, CDK2, PI3K/Akt/mTOR, and p53. Integration with artificial intelligence enhances screening efficiency, prediction accuracy, and ADMET assessment. Overall, CADD represents a crucial strategy to accelerate the discovery of selective and clinically promising anticancer drugs.
Kimia Medisinal dan Perjalanan Obat: Dari Desain Molekul Hingga Monitoring Klinis Syakila Syalsa Reiza Putri; Saeful Amin
Jurnal Riset Ilmu Kesehatan Umum dan Farmasi (JRIKUF) Vol. 3 No. 4 (2025): Oktober : Jurnal Riset Ilmu Kesehatan Umum dan Farmasi (JRIKUF)
Publisher : LPPM STIKES KESETIAKAWANAN SOSIAL INDONESIA

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.57213/jrikuf.v3i4.880

Abstract

This study explores the role of medicinal chemistry in the entire drug development process, from molecular design to post-marketing monitoring. Using a literature study method with a descriptive qualitative approach, data were collected from various scientific journals published between 2020 and 2025 that are relevant to drug development and the application of medicinal chemistry. The findings indicate that medicinal chemistry plays a crucial role in designing, modifying, and optimizing the structure of bioactive compounds through approaches such as structure–activity relationship (SAR) analysis, in silico modeling, and modern biotechnology. These approaches enable the discovery of new compounds that are more selective, effective, and safe. Examples include natural compounds such as betel leaf (Piper betle), green tea, berberine, and curcumin derivatives, which show potential as anticancer, antiviral, and antimalarial drug candidates. In addition, biotechnology-based therapies such as trastuzumab highlight the success of medicinal chemistry in the development of targeted therapies. However, the translation process from laboratory research to clinical application still faces several challenges, including high research costs, preclinical data reproducibility issues, limited infrastructure, and strict regulatory frameworks. Therefore, multidisciplinary collaboration, methodological innovation, and supportive policy development are required to strengthen the translation of research outcomes. Overall, medicinal chemistry plays a strategic role in accelerating the discovery of new drugs that are safe, effective, and globally competitive. The findings also show that integrating traditional approaches with modern computational methods and multidisciplinary collaboration can further accelerate new drug discovery.
Literatur Review: Peran Analisis In Silico dalam Eksplorasi Senyawa Bioaktif Tanaman untuk Pengembangan Obat Antidiabetik Fina Fatihatul Makia; Saeful Amin
Jurnal Riset Ilmu Kesehatan Umum dan Farmasi (JRIKUF) Vol. 3 No. 4 (2025): Oktober : Jurnal Riset Ilmu Kesehatan Umum dan Farmasi (JRIKUF)
Publisher : LPPM STIKES KESETIAKAWANAN SOSIAL INDONESIA

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.57213/jrikuf.v3i4.883

Abstract

Diabetes mellitus (DM) is a major global health problem with a steadily increasing prevalence, posing significant impacts on both public health and the world economy. Conventional antidiabetic drugs such as metformin, sulfonylureas, and thiazolidinediones are effective in lowering blood glucose levels but have several limitations, including adverse effects and reduced efficacy with long-term use. Advances in medicinal chemistry and computational approaches such as molecular docking, quantitative structure activity relationship (QSAR), and virtual screening have opened new opportunities for discovering safer, more selective, and efficient antidiabetic agents. This literature review aims to explore the role of the in silico approach in identifying bioactive plant compounds as potential antidiabetic drug candidates. Based on the analysis of ten research articles, in silico methods have proven essential in predicting the affinity and stability of interactions between natural bioactive compounds and key protein targets involved in type 2 diabetes mellitus, including α-glucosidase, DPP-IV, PPAR-γ, PTP1B, Aldose Reductase, and SGLT-2. Compounds derived from plants such as Tinospora crispa (brotowali), Moringa oleifera (moringa), Syzygium polyanthum (bay leaf), mangosteen peel, Orthosiphon stamineus (cat’s whiskers), and Smallanthus sonchifolius (yacon) exhibited stronger binding affinities compared to synthetic reference drugs such as acarbose and alogliptin. Thus, the in silico approach based on medicinal chemistry serves as a crucial strategy to accelerate the discovery and development of multi-target antidiabetic phytopharmaceuticals derived from natural products. Despite the promising results, further in vitro, in vivo, and clinical studies are required to confirm the effectiveness, safety, and bioavailability of the identified compounds.
DESAIN OBAT MODERN : INOVASI DAN ARAH BARU DALAM KIMIA MEDISINAL Saeful Amin; Boogie, Ridho
Journal of Public Health Science Vol. 2 No. 3 (2025): September
Publisher : Yayasan Nuraini Ibrahim Mandiri

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70248/jophs.v2i3.3133

Abstract

Penelitian ini bertujuan untuk memaparkan pendekatan dan inovasi terkini dalam desain obat berbasis kimia medisinal, dengan menitikberatkan pada peran metode komputasi serta eksplorasi senyawa alami dalam pengembangan kandidat obat baru. Melalui kajian literatur, penelitian ini mengintegrasikan temuan-temuan terbaru mengenai teknik in silico seperti molecular docking, Quantitative Structure–Activity Relationship (QSAR), dan prediksi Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET). Hasil kajian menunjukkan bahwa strategi komputasi secara signifikan mempercepat proses penemuan obat sekaligus menurunkan biaya penelitian pada tahap awal pengembangan. Senyawa bioaktif yang berasal dari tanaman lokal seperti Averrhoa bilimbi (belimbing wuluh) dan Ageratum conyzoides (babandotan) memperlihatkan aktivitas biologis yang kuat dan berpotensi sebagai agen antikanker. Integrasi antara kimia medisinal dengan bioinformatika dan farmakogenomik memungkinkan desain obat yang lebih rasional, efisien, serta spesifik terhadap target biologis. Secara keseluruhan, penelitian ini menegaskan bahwa sinergi antara inovasi komputasional dan pemanfaatan sumber daya alam memberikan arah baru bagi pengembangan terapi modern yang berbasis bukti ilmiah dan bersifat personalisasi. Namun demikian, kajian ini masih terbatas pada analisis data sekunder dan belum disertai validasi eksperimental melalui uji in vitro maupun in vivo.
PENDEKATAN IN SILICO MELALUI QSAR DAN MOLECULAR DYNAMICS: TINJAUAN SISTEMATIS KANDIDAT OBAT ANTIBAKTERI RESISTEN Salsa Zahra Afiatun Nisa; Saeful Amin
Journal of Public Health Science Vol. 2 No. 3 (2025): September
Publisher : Yayasan Nuraini Ibrahim Mandiri

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70248/jophs.v2i3.3134

Abstract

Resistensi antibakteri merupakan ancaman serius bagi kesehatan global yang menuntut penemuan kandidat obat baru melalui pendekatan inovatif. Penelitian ini bertujuan untuk meninjau secara sistematis penerapan metode komputasi Quantitative Structure–Activity Relationship (QSAR) dan Molecular Dynamics (MD) dalam pengembangan obat antibakteri terhadap bakteri resisten. Kajian dilakukan menggunakan metode Systematic Literature Review (SLR) berdasarkan pedoman PRISMA dengan menelusuri publikasi ilmiah periode 2015–2025 yang relevan. Proses seleksi dan analisis literatur dilakukan untuk mengidentifikasi peran QSAR dan MD dalam prediksi, validasi, serta optimasi senyawa antibakteri potensial. Hasil kajian menunjukkan bahwa QSAR mampu memprediksi potensi aktivitas antibakteri berdasarkan hubungan kuantitatif antara struktur kimia dan aktivitas biologis, sedangkan MD berperan dalam mengevaluasi kestabilan kompleks ligan–protein serta mekanisme interaksi molekuler pada kondisi biologis simulatif. Target protein yang sering dikaji meliputi InhA, DNA gyrase, topoisomerase IV, IKK-β, sigmacidins, dan penicillin-binding protein (PBP), dengan fokus pada patogen prioritas seperti Staphylococcus aureus (MRSA), Pseudomonas aeruginosa, dan Streptococcus spp. Temuan ini menegaskan bahwa integrasi QSAR dan MD menghasilkan pendekatan komplementer yang efektif dalam mengidentifikasi serta memvalidasi kandidat molekul dengan aktivitas antibakteri tinggi, sehingga pendekatan in silico berbasis QSAR dan MD berpotensi menjadi strategi penting dalam percepatan penemuan obat untuk menghadapi krisis resistensi antibiotik di masa mendatang.
EKSPLORASI POTENSI SENYAWA BAHAN ALAM SEBAGAI KANDIDAT ANTIKANKER PARU MELALUI PENDEKATAN MOLECULAR DOCKING: SUATU TINJAUAN LITERATUR latifa, Ainun; Saeful Amin
Journal of Public Health Science Vol. 2 No. 3 (2025): September
Publisher : Yayasan Nuraini Ibrahim Mandiri

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70248/jophs.v2i3.3136

Abstract

Kanker paru masih menjadi salah satu penyebab utama kematian akibat kanker di seluruh dunia, dengan karakteristik heterogenitas molekuler yang kompleks serta munculnya resistensi terhadap berbagai terapi konvensional. Sumber daya alam diketahui mengandung beragam senyawa bioaktif yang berpotensi dikembangkan sebagai agen antikanker. Kemajuan teknologi komputasi, khususnya molecular docking, menghadirkan peluang baru dalam mengungkap interaksi senyawa alami dengan protein target pada kanker paru secara lebih efisien, cepat, dan hemat biaya. Artikel tinjauan literatur ini bertujuan menelaah penelitian-penelitian yang mengkaji potensi senyawa alam terhadap target kanker paru melalui pendekatan molecular docking. Proses penelusuran dilakukan pada basis data PubMed, ScienceDirect, dan Google Scholar dengan cakupan publikasi tahun 2015–2025. Berdasarkan hasil kajian, sejumlah senyawa seperti piperlongumine, artocarpin, antosianin, dan nordamnacanthal terbukti memiliki afinitas ikatan yang tinggi terhadap target molekuler penting, antara lain EGFR, PDGFR-α, PTGS2, dan PPARG. Nilai skor docking yang tinggi menunjukkan potensi aktivitas biologis, meskipun tetap membutuhkan verifikasi lanjutan melalui penelitian in vitro maupun in vivo. Dengan demikian, molecular docking dapat dipandang sebagai langkah awal yang krusial dalam eksplorasi obat berbasis bahan alam untuk terapi kanker paru serta menjadi fondasi bagi pengembangan kandidat obat baru di masa mendatang.
Senyawa Alami sebagai Kandidat Obat Antikanker: Suatu Tinjauan Kimia Medisinal Cheriel Dhiya Nazwa Alivia; Saeful Amin
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.v3i6.1865

Abstract

Cancer remains a major challenge in modern medicine due to drug resistance and the adverse effects of conventional therapies, making it one of the leading causes of death worldwide. Continuous scientific efforts aim to discover safer and more effective treatments. Owing to their structural diversity, strong bioactivity, and relatively low toxicity, natural compounds show great promise as sources of anticancer drug candidates. This article aims to explore the role of medicinal chemistry in investigating, modifying, and optimizing natural bioactive compounds to develop more effective, selective, and stable anticancer agents with improved bioavailability. A narrative review was conducted using scientific literature published between 2020 and 2025 from PubMed, ScienceDirect, Google Scholar, and ResearchGate. The findings indicate that eugenol, berberine, hesperidin, piperine, and quercetin exhibit anticancer activities through apoptosis induction, inhibition of proliferation, and antioxidant and anti-inflammatory mechanisms. Modern medicinal chemistry relies on understanding structure–activity relationships (SAR), chemical modification, and nanoparticle formulation to enhance biological performance. In addition, in silico techniques such as molecular docking and QSAR analysis are applied to study ligands and receptors and predict bioavailability improvements. The development of natural products as rational, effective, and safe anticancer drug candidates is strengthened by integrating experimental, computational, and pharmaceutical approaches.
Eksplorasi Kimia Medisinal untuk Terapi Kolesterol Tinggi : Analisis Struktur-Aktivitas dan Target Molekuler Obat Saeful Amin; Putri Nasywa Nabilah Ma’rifatillah; Intan Permatasari; Siti Maryam
JURNAL RISET RUMPUN ILMU KESEHATAN Vol. 4 No. 1 (2025): April : Jurnal Riset Rumpun Ilmu Kesehatan
Publisher : Pusat riset dan Inovasi Nasional

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55606/jurrikes.v4i1.4392

Abstract

Hypercholesterolemia is a significant global health problem, with a high prevalence in Indonesia. Although conventional therapies such as statins have been the mainstay of treatment, limited efficacy and side effects necessitate the development of new, more effective and selective drugs. This article explores the role of medicinal chemistry in the discovery and development of cholesterol-lowering drugs, focusing on structure-activity analysis (SAR) and molecular targets. Through structure-based approaches, compounds such as statins and PCSK9 inhibitors have been optimized to increase affinity for biological targets. In addition, exploration of new targets and formulation innovations have shown great potential in improving therapeutic efficacy. Thus, medicinal chemistry contributes significantly to providing safer and more effective therapeutic solutions for the management of hypercholesterolemia.
Literature Review: Analisis Khasiat Tanaman Pala (Myristica Fragnans Houtt) dalam Pengobatan Halitosis Oleh Bakteri Saeful Amin; Naila Naziba; Hayuning Putri Ambi; Salsabila Sasikirana
JURNAL RISET RUMPUN ILMU KESEHATAN Vol. 4 No. 1 (2025): April : Jurnal Riset Rumpun Ilmu Kesehatan
Publisher : Pusat riset dan Inovasi Nasional

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55606/jurrikes.v4i1.4475

Abstract

Halitosis, or bad breath, is a multifactorial condition that is often caused by anaerobic bacterial activity in the oral cavity, especially on the dorsum surface of the tongue. The use of natural ingredients as an alternative halitosis treatment is a concern, one of which is the nutmeg plant (Myristica fragrans), which has various active compounds such as essential oils, saponins, flavonoids, and alkaloids. This study aims to assess the potential of nutmeg plants in inhibiting the growth of bacteria that cause halitosis through a literature review of 30 national and international journals within the last five years. The results showed that nutmeg extracts, both from seeds, pulp, and leaves, have antibacterial activity against various types of halitosis-causing bacteria such as Streptococcus mutans, Staphylococcus aureus, and Escherichia coli. This activity is obtained through the mechanism of cell membrane damage and inhibition of bacterial cell wall synthesis by bioactive compounds in nutmeg plants. Therefore, nutmeg has potential as a natural antibacterial agent in the management of halitosis.
Potensi Kaempferol dan Kalkon Tergeranilasi Sebagai Kandidat Terapi Penyakit Jantung Koroner (PJK) Melalui Pendekatan Molecular Docking Saeful Amin; Tevani Almanda Ramdani; Maitsa Gita Salsabila; Teguh Nizar Zulmi
JURNAL RISET RUMPUN ILMU KESEHATAN Vol. 4 No. 1 (2025): April : Jurnal Riset Rumpun Ilmu Kesehatan
Publisher : Pusat riset dan Inovasi Nasional

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55606/jurrikes.v4i1.4504

Abstract

Coronary heart disease (CHD) is one of the leading causes of death worldwide due to impaired blood and oxygen supply to the heart muscle. This study aims to explore the potential of two natural compounds—kaempferol from Moringa oleifera and geranylated chalcone (GTDC) from Artocarpus altilis—as therapeutic candidates for CHD through a molecular docking approach. Medicinal chemistry analysis revealed that kaempferol exhibits significant affinity for the NF-κB protein, forming key hydrogen bonds with residues involved in the inflammatory process of atherosclerosis. Meanwhile, GTDC demonstrates strong binding to the P2Y12 receptor, which plays a crucial role in platelet aggregation, with a docking score lower than that of the natural ligand ADP. Structurally, hydroxyl group positioning and the lipophilic geranyl chain enhance both bioactivity and pharmacokinetic properties. In conclusion, a medicinal chemistry approach involving in silico docking, structure–activity relationship (SAR) analysis, and ligand optimization strategies confirms the potential of kaempferol and GTDC as promising multifunctional therapeutic agents for CHD. Further validation through in vivo studies and clinical testing is required.
Co-Authors Adi Budi Ramadhan, Adi Budi Ramadhan Adisti Rahma Ahmad, Zahratunnisa Ai Nuraisah Ai Sriwahyuni Alfi Nurul Aini Alika Rahma Kalimatillah Alya Nisrina Fauziyyah Amir Mursadad Anantha Puspatiara Andri Prasetiyo Anwar, Reza Jakaria Azriel Pratama, Arryza Azzindani Januar Boogie, Ridho Cheriel Dhiya Nazwa Alivia Dea Wulandari Dheana Ratu Hazlisa Dhearlyn Astania Oxtavia Amir Dinda Nurhayati Famili Dini Aryani Esti Mumpuni Eva Sucianti Fadhiilah Nur Fariidah Fathila Azahra, Fildza Fina Awaliah Fina Fatihatul Makia Fitria Mutiara Rohmah Fitya Fithrotun Najiah Galih Hamdani Riansyah Gani Gusdayan Hanifiani Kamila Hasny Dwi Rahman Hayuning Putri Ambi Hendra Komara Henny N Hidayah, Nauval Aqil Inggit Suci Listya Innayatulloh, Risma Intan Permatasari Jayanty, Rizka Sri Jelin Mutiara Guswara Latifa, Ainun Lidiasari, Alda Lidiasari Maitsa Gita Salsabila Meisye Utami Dianingsih Moch. Ikhsan Fauzi Naila Naziba Nandita Marsya Putri Utami Nazmi Tri Harja Nazwa Cahya Kamila Neng Mirna Wati Dewi Neng Padia Amelia Nurkholidatunnisa, Wulan Nurlichan, Suci Rahayu Nurul Sulistia Azzahra Oktaviani, Rissa Aenur Pratama, Bryan Restu Putri Nasywa Nabilah Ma’rifatillah Putri, Amyla Putri Nurul Nazmi restu rianingsih Reza Fathurrahman Sabrina Putri Mutiara Fajrin Salsa Zahra Afiatun Nisa Salsabila Sasikirana Sefira Novi Ariyanto Sekar Harsti Rahmadhani Setiawati, Dede Evita Silma Lutfi Farwah Silvia Dwi Putri Siti Maryam Slamet Ibrahim - Solihah, Adilla Nurafdilla Suci Mega Rahmi Suryaman, Novita Deris Syakila Syalsa Reiza Putri Teguh Nizar Zulmi Tevani Almanda Ramdani Tiara Oktavia Ramadhan Tsani, Ghani Angga Widiya Zulvania