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All Journal PROSIDING SEMINAR NASIONAL Biomedika Pharmacon Majalah Obat Tradisional JPSCR : Journal of Pharmaceutical Science and Clinical Research Abdimas Galuh: Jurnal Pengabdian Kepada Masyarakat Medfarm: Jurnal Farmasi dan Kesehatan BEMAS: Jurnal Bermasyarakat Indonesian Community Journal Abdi Geomedisains Jurnal Pengabdian Masyarakat Medika Journal of Pharmaceutical and Sciences. Usadha Journal of Pharmacy Medical Sains : Jurnal Ilmiah Kefarmasian
Rima Munawaroh
Universitas Muhammadiyah Surakarta
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Dentistry Earth & Planetary Sciences Economics, Econometrics & Finance Education Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Medicine & Pharmacology Nursing Public Health Social Sciences Other

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In Silico Evaluation of Cinnamaldehyde and Its Analogues as Potential Alpha-Glucosidase Inhibitors for Antidiabetic Therapy Ahwan, Ahwan; Muhtadi, Muhtadi; Munawaroh, Rima
MEDFARM: Jurnal Farmasi dan Kesehatan Vol 14 No 2 (2025): Medfarm: Jurnal Farmasi dan Kesehatan
Publisher : LPPM Akafarma Sunan Giri Ponorogo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.48191/medfarm.v14i2.622

Abstract

Diabetes mellitus (DM) is a chronic disease that can impact the health and well-being of patients in the long term. According to the International Diabetes Federation (2025), DM sufferers in Indonesia numbered 20.4 million in 2024. This figure is expected to increase to 28.6 million in 2050, DM treatment by inhibiting the alpha-glucosidase receptor. Cinnamaldehyde compounds have antidiabetic activity. This in silico study aims to determine the potential of cinnamaldehyde compounds and their analogs against alpha-glucosidase receptors as antidiabetics. Data on cinnamaldehyde compounds and their analogs were collected through the PubChem database and the alpha-glucosidase structure from the PDB database with the code 3TOP. This study evaluated cinnamaldehyde and its six analogs using molecular docking simulations on alpha-glucosidase receptors with tools such as PyRx 0.8, AutoDockTools-1.5.6, and Biovia Discovery Studio 2024, as well as pharmacokinetic and toxicity predictions using the pkCSM web tools and Lipinski's Rule of Five. The Lipinski's Rule of Five prediction results indicate that acarbose does not meet Lipinski's criteria. In contrast, cinnamaldehyde and its derivatives meet these criteria. Docking analysis shows that acarbose (7.1 kcal/mol) has the highest binding affinity for α-glucosidase, but cinnamaldehyde and its analogs (6.0–6.4 kcal/mol) still exhibit strong interactions at the enzyme's active residues. The ADMET profile supports the potential of cinnamaldehyde as an antidiabetic candidate with a broader systemic action range and a better pharmacokinetic profile than acarbose.
Co-Authors Ahwan Ahwan, Ahwan Amalia, Shafira Nurul Amanda Wahyu Kurniawan Ambar Yunita Ambar Yunita Nugraheni Ana Mardiyaningsih Ana Mardiyaningsih Anindya, Talitha Ahnaf Anjati, Yasinta Widia Arifah Sri Wahyuni Asti Arum Sari Audi Tahta Aurellia Azzahra, Shafanisa Alivia Balqis, Moetia Rahman Berlian Utari Brainandiva Ade Fitria Cahya Rahma Utami Chatarina Umbul Wahyuni Cholisoh, Zakky Dedi Hanwar Ekayanti, Septi Rismala Em Sutrisna Endang Nur Widiyaningsih Endang Setyaningsih Erindyah Retno Wikantyasning Erna Prawita Setyowati Fauziah, Isnaeni Nur Febriani, Rizkina Elistya Firdaus, Farhand Ahmad Flora Ramona Sigit Prakoeswa Harindasari, Amorita Azzah Hazimah, Jihan Naufa Heppy Purbasari Husna, Az zahra Miftahul Ika Trisharyanti Dian Kusumowati Isnaniyah, Dhevi Zahra Latifatul Izzati, Sheila Nur Kharisma, Annisa Nur Khoirunnisa Khoirunnisa Kumalaningtyas, Martdwitanti Ajeng Kurniawati, Pipit Melyana Larasati, Arindra Luluk Ria Rakhma Maharani, Annisa Rizki Maureen, Raden Roro Nadya Muhammad Ikhsan Al Af Ghani Muhtadi Muhtadi Peni Indrayudha Rahmawati, Dita Ramdani, Tasya Eka Refsya Azanti Putri Retno Murwanti Rizkina Elistya Febriani Rosi Hayyu Anjani Sania Nayasari Khoirunnisa Santi, Tika Melandya Setyo Nurwaini Shafanisa Alivia Azzahra Siswadi Siswadi Suprapto Suprapto . Suprapto . Tanti Azizah Sujono Tri Oktarina Triana Hertiani Utari, Berlian Wahyu Utami Yuka Aulia Rahma