Claim Missing Document
Check
Articles

Found 1 Documents
Search
Journal : CHEMPUBLISH JOURNAL

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 Achmad, Audia Ichsania Adelina Simatupang Agustini, Tiara Tri Alfayutia, Windi Ali Affan Silalahi Almi, Vinny Juliandi Amelia, Sabina Rizky Ami Sari, Rosi Anabesi, Mazaya Putri Ananda, Fhilein Ananta, Levina Andjelie, Tiara Anggraini, Haryeni Sastra Anggraini, Silvana Anita Lukman Anita Lukman Anouzha, Resty Antasya, Vaylia Ariani, Lusiana Armon Fernando Arpina, Melka Febby Aryudhini, Rinda Aufa, Safira AULIA, FIRDA Aulia, Natasya Aulia, Zulikho Azela, Lala Azkiyah, Revina Tasya Bulan, Bulan Citra Safitri Wirman Darmawi Darmawi . Dea Dwi Putri Deni Anggraini Deriska, Tasya Dwi, Kurnia Edi Yunara Eka Putra Eka Saputri Nst, Sandry Faridah, Wardatil Febrian, Roby Ferdy Firmansya Ferdy Firmansyah Fikri Maulana Fikri Maulana, Fikri Fitri Renovita Fitri, Rindu Rahmatul FRANSISKA, ELLA Furi, Mustika Gideon, Briandy Haiyul Fadhli Handini, Wigati Hanum, Widia Helfina, Syelfi Hendra, Rudi Hidayati, Kismira Hidayati, Nabila Nur Hijriyah, Ananda Juhaifa Humairaq, Shakira Ihsan Ikhtiaruddin Ihsan Ikhtiarudin Ihsanul Hafiz Indah Lestari, Indah Indra Ginting Inggrid. P, Debora Irfan Maulana, Irfan Ismail Marzuki Istiqomah, Meutya Dwi Khairil Armal Kirana, Fharisti Kurniawan, Rudi Erwin Leny Leny Leny Leny Leny Leny Leny Leny, Leny Leny, Leny Lismarianti, Lismarianti Luthfia Meirizka, Fathina Maghfirah, Wahyi Mardani, Atika Nurfadhila Marlind, Naya Mahesa Marvika, Shintia Maspat, Rinta Mayang, Rapi Melia Sari, Melia Meri Ernilawati mira febrina Mira Janita Mudia, Whulan Muhammad Arif Muhammad Insan Kamil, Muhammad Insan Muhammad Yusuf Muhtadi, Wildan Khairi Musyirna Rahmah Nst Muzdalifah, Siti Nababan, Herbet Nabilla, Revanalia Naibaho, Triana Putri Nasution, Meiliza Putri Nayla Shafiya, Arifa Neni Frimayanti nesa agistia Ningsih, Fitra Ayu Nofriyanti - Nofriyanti Nofriyanti Nova Tantri Silalahi Novrianti, Nisa Nugraha, Fajar Muhammad Nurliza, Era Ocktariyana, Ocktariyana Okla Elfitri Oktavianti, Mimi Otilia, Alisa Peng, Wei-Ching Peng-Wei, Ching Prakoso, M. Fauzan Pulpa Susila, Afriani putra, fariz Putri, Amanda Herlina Putri, Atika Putri, Erra Manisa Putri, Nadila Putri, Rizka Luthfia Ananda Putri, Winda Masayu Rachel Anastasia R Hutabarat Raesa Tartilla Raesa Tartilla Rahayu, Adnin Rahma Dona Rahmadani, Sriayu Rahmadhani Rahmah, Rizka I’zaa Rahmidasari, Annisa Ramadhani, Nadea Zahra Reise Manninda Rensus Siagian Retika, ⁠ Chindy Revina Tasya Azkiyah Rickha Octavia Rizki, Mulia Rodhia Ulfa Romadhon, Laili Rona Syafira Ronapadua Musyirna Rahmah Nasution Sahara dan Emma Susanti Rudi Hendra Rusnedy, Rahmayati S.Farm., M.Farm., Apt, Sondang Khairani Safri Safri Safri Safri Saharani, Liliana Sajja Wanda, Taqqia Salsabillah, Mutiara Sandra Tsalsabila Ananto, Deswita Septi Muharni Serlin Partika Sari Sidabutar, Santa Eni BR Silalahi, Nova Tantri Sisilawati, Kolista Sitanggang, Joanna Siti Fatimah Hanum Suprianto Suprianto Surboyo, Meircurius Dwi Condro Syukrani, Sabila Tarigan, Jacub Tetty Noverita Khairani Tetty Noverita Khairani Situmorang Thahira, Siffa Tiara Fani, Rifia Tiary N Sitohang Uci Tri Azelia Uli Tamba, Evlyn Cyntia Usti, Angelika Utami, Zelvy Rahman Vania Asshaf, Hanifa wahyuni wahyuni Winata, Hanafis Sastra Wira Noviana, Wira Noviana Wirawan Adikusuma Wirman, Citra Safitri Wulandari, Windya Yolanda Yolanda, Yolanda Zahira, Rifka Zahlina, Dian Zalfa Desion, Aufa Zalianti, Amelia Zyzy Permata Dian