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All Journal Jurnal Riset Pendidikan Matematika Jurnal Teknologi Informasi dan Ilmu Komputer JIPM (Jurnal Ilmiah Pendidikan Matematika) JIKO (Jurnal Informatika dan Komputer) Anfusina: Journal of Psychology Compiler FIKRAH Jurnal Jamu Indonesia Technologia: Jurnal Ilmiah JATI (Jurnal Mahasiswa Teknik Informatika) Jurnal Ners Fikrah : Journal of Islamic Education Al-Ulum: Jurnal Pendidikan Islam JOLLT Journal of Languages and Language Teaching Simpatik: Jurnal sistem Informasi dan Informatika Profitabilitas Al-Ulum: Jurnal Pendidikan Islam Pedagogy : Jurnal Pendidikan Matematika Journal of Mechanical Engineering, Science, and Innovation ANWARUL: Jurnal Pendidikan dan Dakwah eProceedings of Applied Science JPLED Diversity Logic Journal Multidisciplinary Akademika Jurnal Teknologi Maritim Indonesian Journal of Jamu Journal of Visionary Sharia Economy (JOVISHE) Computer & Science Industrial Engineering Journal
Ilham Kurniawan
Fakultas Ekonomi Dan Ilmu Sosial Universitas Islam Negeri Sultan Syarif Kasim Riau
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Electrical & Electronics Engineering Energy Engineering Health Professions Languange, Linguistic, Communication & Media Mathematics Mechanical Engineering Medicine & Pharmacology Nursing Social Sciences Other

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Journal : Jurnal Ners

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Unlocking Antibacterial Potential: Thiophene-2-carbaldehyde Modification of Acertannin from African Leaves as MurA Enzyme Inhibitors Kurniawan, Ilham; Winarno, Nabilla Suhasfi
Jurnal Ners Vol. 9 No. 4 (2025): OKTOBER 2025
Publisher : Universitas Pahlawan Tuanku Tambusai

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/jn.v9i4.49392

Abstract

The global rise of antimicrobial resistance underscores the need for novel inhibitors targeting essential bacterial enzymes such as UDP-N-acetylglucosamine enolpyruvyl transferase (MurA). This study evaluates the antibacterial potential of three natural polyphenols—Acertannin from African leaves and structurally modified with Thiophene-2-carbaldehyde (TC) to enhance MurA inhibition. A validated QSAR model, incorporating hydrophobic, electronic, and steric descriptors, predicted significantly lower EC₅₀ values for TC-modified compounds, with TC-acertannin showing the highest predicted potency (EC₅₀ = 0.382 µM). Molecular docking revealed strong binding affinity to MurA, with ΔG = −7.8 kcal/mol and Ki = 1.88 µM, involving key interactions such as hydrogen bonding, π-anion, and π-sulfur contacts with residues CYS115, ARG120, ASN23, ARG91, LYS22 and GLU188. PASS prediction further indicated enhanced antibacterial activity and membrane-related mechanisms, with TC-Acertannin showing a Pa of 0.923 for membrane integrity agonism. These results highlight TC-modified tannin as promising MurA-targeted antibacterial agents and support the rational design of natural product-based inhibitors to combat antibiotic-resistant bacteria
Co-Authors Abdussomad, Abdussomad Adolf Pieter Lontoh, Adolf Pieter Agrelia, Priska Agung Wibowo Ahmad Tamrin Sikumbang Aji, Handaru Baskara Akbar, Muhammad Rifqi Alaka, Anta Amin, Muhammad Safiul Anam, Rijal Khoirul Annas, Firdaus Ari, Muhammad ARIS HARTAMAN Bachtiar Bachtiar Bachtiar Duwi Cahya Putri Buani Fauziah, Ai Samrotul Fikri Maulana, Fikri Habibburrahman, Habibburrahman Habiburrahman Habiburrahman Habiburrahman, Habiburrahman Hamzah, Zainul Hanafi, Hilmi Haruri, Rikko Harli Husin, Lauditta Soraya Intan Islamia Irmawati Irmawati Komalasari, Tari LAKSMI AMBARSARI Lusi Nurhayati Mahesa, Salwa Marwa, Marwa Miftachul Munir, Moh. Mirna Mirna Moh. Miftachul Munir Moh. Syaiful Amri Mohammad Thoriq Wahyudi Muhamad Ari Mukhlis Mukhlis Mukhlis Muktarruddin Muntazhimah, Muntazhimah Nafisah, Zuhrufatun Nining Rahaningsih Nining Suryani Nur Farida Nurmawansa, Nurmawansa Priska Agrelia Rahman, Habibur Rahmawati, Andira Rasyidin, Yusyafrida Rizal Amegia Saputra Rosa Kamelia Saridewi, Atika Setyanto Tri Wahyudi Sirait, Ganda Syaiful Amri, Moh. Tati Suprapti Taufiqurrohman, Essa Salman Tigana, Adra Ulfah, Syafika Widayanti, Eka Widya Apriliah, Widya Winarno, Nabilla Suhasfi Yusrialis Yusrialis