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Journal : Helium: Journal of Science and Applied Chemistry

Antibacterial Potency of Bioactive Compounds from Areca catechu Nuts: A Molecular Docking Study Targeting 8H1B Mariska, Soraya; Rahmadi, Muhammad Zaki Ammar; Hanifa, Milla; Hasna, Naurah Rosyidah; Irawan, Siti Azara Nayla; Putri, Refsya Azanti; Saputra, Muhammad Yogi
Helium: Journal of Science and Applied Chemistry Vol 4, No 1 (2024): Helium: Journal of Science and Applied Chemistry
Publisher : Universitas Pakuan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33751/helium.v4i1.10284

Abstract

Areca catechu, a plant in the Arecaceae family, is rich in bioactive secondary metabolite compounds. Areca catechu has many benefits and potentials, including its antibacterial properties. This study aims to describe the potential of secondary metabolite compounds as antibacterials targeted at 8H1B and their toxicity profile through in silico analysis. The ligands used in this study were catechin, acatechu B, jacareubin, clindamycin as a comparison compound, and S-adenosylmethionine as a native ligand. The results showed that acatechu B had the lowest binding energy (-12.66 kcal/mol) compared to catechin (-9.44 kcal/mol), jacareubin (-8.99 kcal/mol), clindamycin (-10.93 kcal/mol), and S-adenosylmethionine (-11.76 kcal/mol). According to Biovia Discovery simulations, the Areca catechu bioactive compound interacts with 8H1B through van der Waals, conventional hydrogen bonds, and different variants of pi interaction. The toxicity profiles of the Areca catechu bioactive compound showed that they were not hepatotoxic, not mutagenic, not carcinogenic, and had safe LD50 values. These results suggest that the Areca catechu bioactive compound possesses antibacterial potential by targeting 8H1B.
Co-Authors A.L, Ihza Adzkiya Mubarak Amanda Wahyu Kurniawan Ambar Yunita Ambar Yunita Nugraheni Arrafi, Muhammad Zhafran Atthar Luqman Ivansyah Audi Tahta Aurellia Ayu, Rakyan Wening Puspa Ayuwulanda, Aditya A’dilah, Anis Afkar Brainandiva Ade Fitria Cahya Rahma Utami Cahyadi, Dzaky Raihan Cholisoh, Zakky Dedi Hanwar Dewi, Sri Kumala Dina Putri Agustina Dzaki Arrafif Endang Setyaningsih Enggelina, Nia Natalia Erindyah Retno Wikantyasning Fadhilla, Hana Fajar Fauzi, Muh Faj’riati, Nur Alfi Khoirul Fauziyya, Riri Findawan, Geofany Hargi Hanifa, Milla hanifah, zulfa nur Hart, A’Ang Yuanita Hasna, Naurah Rosyidah Ika Trisharyanti Dian Kusumowati intan kusuma wardani Irawan, Siti Azara Nayla Isna Mulyani Kartika Sari Ramadhani, Untia Keisya Aurora Natasha Chairunisa Khoirunnisa Khoirunnisa Kiki Yuli Handayani Lulu Zaqia Luluk Ria Rakhma Maharani, Maisa Mariska, Soraya Maulidia Rahayyu, Annisa Meiliana, Sherin Isna Muhammad Ikhsan Al Af Ghani Muhammad Yogi Saputra N.S, Yonatan Adi Nabila Ahlika Ulya Nadia Nur Syakilla Natasya Armelia Putri Ningtiyas, Amelia Rizki Nur Auli, Winni Nur Mahmudah Nurnahari, Naura Putri, Erika Arista Rahmadi, Muhammad Zaki Ammar Ramadhani, Salsabila Putri Retinovaliani, Aviolena Rima Munawaroh Riyadi, Eka Putri Widya Arsia Rosi Hayyu Anjani Saeli, Pinka Mustika Salsabila Fauziah Sania Nayasari Khoirunnisa Sayekti, Nurul Cahyaning Nardi Sekarsari Yusuf, Mubarika Setyo Nurwaini Syahdiba, Natasya Maula Syaikhul Aziz Tantri Liris Nareswari Windari, Nurul Irna Windasari, Liska Winni Nur Auli Yuka Aulia Rahma Zada Agna Talitha