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All Journal Indonesian Journal of Pharmaceutical Science and Technology E-Dimas: Jurnal Pengabdian kepada Masyarakat Jurnal Kesehatan Bakti Tunas Husada JSKK (Jurnal Sains Keolahragaan dan Kesehatan) Journal of Pharmacopolium JURNAL PengaMAS Jurnal Kreativitas PKM FITOFARMAKA: Jurnal Ilmiah Farmasi Jurnal Ilmu Kefarmasian Indonesia To Maega: Jurnal Pengabdian Masyarakat Pharmacoscript Jurnal Ners Pharma Xplore : Jurnal Sains dan Ilmu Farmasi Jurnal Mandala Pengabdian Masyarakat J-ABDIPAMAS (Jurnal Pengabdian Kepada Masyarakat) Jurnal Riset Ilmu Kesehatan Umum dan Farmasi Journal of Innovative and Creativity Jurnal Kesehatan Bakti Tunas Husada Science: Indonesian Journal of Science Galen: Jurnal Ilmu Farmasi dan Kesehatan Journal of Pharmacopoeia Jurnal Farmasi Islam Kalimantan
Saeful Amin
Universitas Bakti Tunas Husada
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemistry Computer Science & IT Education Health Professions Languange, Linguistic, Communication & Media Library & Information Science Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences Veterinary Other

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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.
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.
Co-Authors Ade Yeni A Ade Yeni Aprilia Agneiva Hasna Nabilah Alda Nur Arifin AlifiaFauziah Andika Pratama Andri Prasetiyo Andriani, Yeni Yulia Andris Alfarizi Aneu Nia Rolita Pasa Anggi Zulvana Anindita Tri Kusuma Pratita Anindita Tri Kusuma Pratita Anindita Tri Kusuma Pratita Anisa Pebiansyah Anna Yuliana, Anna Annisa Pebiansyah Ardina Malika Citra Dewi Salasanti Dian Eka Pratama Diana Sri Zustika Dinda Aulia Salsabila Dinda Ayu Dara Ilhami Eka Saraswati Elsa Farhatunnisa Eulis Nurcahya Fadhilah Utami Fadli Fadli Fajar Sahrisyawal Fatwa Hasbi Fauzia Rifany Nurmaliya Fawwaz Daniswara Fikri Efad Irfandi Fina Fatihatul Makia Fithriyah Salsabila Harahap Fitriani Fitriani Ghefira Agisha Nurazizah Ghefira Shofa Nurfatimah Giri Guntara Gunarti, Neni Sri Hana Nurhanifah Hendy Suhendy Ilham Alifiar Ilham Alifiar Ilham Alifiar indra indra Indra, Indra Intan Ririhani Ira Rahmiyani Ira Rahmiyani Isfahani Maulidah Putri Julian Rahmat Justicia, Adhisty Kharisma Khoirul Hawari Komang Dewi Maharani Lexsa Pujawati4 Lilis Tuslinah Lisa Fitriani Liza Salsa Nabila Lusi Nurdianti Luthfiyah Nabilah M Luthfi Sopiyurrohman M. Faturohman Maharani Febriani Mawar Santika Melan Nuriyatus Sa’diyah Mochamad Fahad Rojabi Mochamad Fathurahman Mochamad Fathurohman Muchamad Nizam Nurhadiska Muhamad Hilmi Sutisna Muhamad Rizki Muhammad Riffa Firdaus Muharam Priatna Muharam Priatna Mursadad, Amir Nabila Amelia Nabila Lestari Najelina Shifa Nasswa Kautsar Ramadani Nauval Sebastian Olivian Nazwa Nurfauzia Helma Neneng Reva Neng Sarah Nurhanifah Nikeu Rahayu Nizar Nurul Arifin Nur Laili Dwi Hidayati Nur Rahayuningsih Nur Rahayuningsih, Nur Nurul Sulistia Azzahra Prayoga Muliadi Raisya Ismah Fadlillah Rangga Nugraha Rd Dina Siti Murdina Regita Pramesti Resha Resmawati Shaleha Resi Aulia Azhari Rifa Salma Azhara Risma Risna Rosmiyati Riza Maulana Rizki Nina Padan Rosi Rosidah Ruswanto, Ruswanto Salsabila Adlina Selvira Anandia Intan Maulidya Sini Qurota Aeni Siti Hamidah Slamet Ibrahim - Sophi Damayanti Sophi Damayanti Syamsiati Dwi Tania Nuraeni Taufik Hidayat Tita Nofianti Tita Nofianti Tita Nofianti Tita Nofianti Tresna Lestari, Tresna Tresna Ratna Wati Nur Tria Novita Siti Ramadhani uswah yuslahul Vera Nurviana Wida Salsabila Dienia Widia Salsabila Khoerunisa Yuni Yunarsih Yuniar Dwi Anggraeni Yunisa Khaerina Yunisa Miraz Zain, Dichy Nuryadin