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All Journal Jurnal Penelitian Farmasi Indonesia Majalah Obat Tradisional CHEMPUBLISH JOURNAL Jurnal Farmasi Galenika (Galenika Journal of Pharmacy) Jurnal Penelitian Farmasi Indonesia JSFK (Jurnal Sains Farmasi & Klinis) JURNAL PHOTON JFL : Jurnal Farmasi Lampung PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia) Ensiklopedia of Journal Jurnal Ilmu Kefarmasian Indonesia INDRA: Jurnal Pengabdian kepada Masyarakat COVIT Jurnal Hasi Penelitian Dan Pengkajian Ilmiah Eksakta - JPPIE Jurnal Katalisator Jurnal Farmasi Indonesia Jurnal Pengabdian Masyarakat Jurnal Bakti Nusantara
Armon Fernando
Sekolah Tinggi Ilmu Famasi Riau
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Journal : CHEMPUBLISH JOURNAL

 1 
Molecular docking, prediction of drug-likeness properties, and toxicity risk assessment of compounds from Cinnamomum zeylanicum as inhibitors of Dengue DEN2 NS2B/NS3. Frimayanti, Neni; Fernando, Armon; Rahmah, Rizka I’zaa; Iskandar, Benni
Chempublish Journal Vol. 9 No. 2 (2025): Chempublish Journal (July - December)
Publisher : Department of Chemistry, Faculty of Science and Technology Universitas Jambi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22437/chp.v9i2.43598

Abstract

Dengue hemorrhagic fever (DHF) is a serious mosquito-borne disease caused by the dengue virus, most often transmitted by the bite of female Aedes aegypti mosquitoes. In Indonesia, the number of DHF cases has steadily increased since the disease was first reported, underscoring the urgent need for effective treatments. This study used in silico methods to explore the potential of three bioactive compounds from Cinnamomum zeylanicum i.e. cinnamaldehyde, α-terpineol, and chavicol as inhibitors of the dengue virus NS2B/NS3 protease and evaluated their drug-likeness and potential toxicity. The compounds sourced from the NADI database were compared with panduratin A as a positive control. Molecular docking was performed using the Molecular Operating Environment (MOE) 2023.0901 software, and drug-likeness and toxicity predictions were performed using SwissADME and Protox-II. Among the tested compounds, α-terpineol exhibited the strongest potential to inhibit NS2B/NS3, while all three met the standard drug-likeness criteria. Notably, α-terpineol demonstrated the most favorable safety profile compared to cinnamaldehyde, chavicol, and panduratin A.
Co-Authors Adriani Susanty Agustini, Tiara Tri Allaya, Regina Alpatiqa, Silviana Lufti, Siti Hizra Amin, Syahrul Anita Lukman Arief, Encik Juliansyah Aulia, Nada Aqilah Azkia Wanudya Rahmadhani BENNI ISKANDAR Buddy Giovanni DAYAR ARBAIN Deni Anggraini Dwi Winarsih Emma Susanti Enda Mora Fadhilatun Khoiriyah Farediah Ahmad Farisa, Nayla Al Ferdy Firmansyah Fina Aryani, Fina Fitri Suryani Furi, Mustika Gressy Novita Haiyul Fadhli Hariyani, Widya Hasnah M. Sirat Hayu Lestari Hefriza Putri Indah Puspita Sari Indri Aprilia, Indri Irfan, Nawwar Ivona Adelin Jannati, Nisa Jumadila, Ikhsal Mukri Maryunita, Dinda Mayrade, Salma Yudhistira Milianty, Jesy Muhtadi, Wildan Khairi Musyirna Rahmah Nasution Nasution, Musyirna Rahmah Neni Frimayanti Netralis Has Ningrum, Tilar Eka Widia Nofri Hendri Sandi Putri Lestari Putri Lestari, Putri Putri, Dhini Fahira Rahayu Utami Rahayu Utami Rahma Dona Rahma, Indah Lutfianti Rahma, Rizqia I’zza Rahmah, Rizka I’zaa Rahmayanı, Wıky Rajeb Fadillah Ramona, Paula Rickha Octavia Rusnedy, Rahmayati Sadam Husein Safira, Yola Safitri, Fasri Dian Suhelmi - Syafutri, Lidiyah Syahbandi, Ilham Syilfia Hasti Winda Sari Wira Noviana Suhery