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All Journal JURNAL ILMIAH PLATAX Kompak : Jurnal Ilmiah Komputerisasi Akuntansi Jurnal Algoritma JMKSP (Jurnal Manajemen, Kepemimpinan, dan Supervisi Pendidikan) Owner : Riset dan Jurnal Akuntansi Bunda Edu-Midwifery Journal (BEMJ) Jurnal Pengabdian Magister Pendidikan IPA OIKOS: Jurnal Kajian Pendidikan Ekonomi dan Ilmu Ekonomi Al-Kharaj: Journal of Islamic Economic and Business Accounting Profession Journal (APAJI) Jurnal Manajemen Bisnis Eka Prasetya Wahana Peternakan ARBITRASE: JOURNAL OF ECONOMICS AND ACCOUNTING PSEJ (Pancasakti Science Education Journal) Procedia of Social Sciences and Humanities Jurnal Algoritma Al -Athfal Indonesian Journal of Community Empowerment (IJCE) TOFEDU: The Future of Education Journal Jurnal Pengabdian Masyarakat dan Riset Pendidikan El-Mal: Jurnal Kajian Ekonomi & Bisnis Islam Jurnal Ekonomika dan Bisnis IECON: International Economics and Business Conference Prosiding Dedikasi: Pengabdian Mahasiswa Kepada Masyarakat Ecoducation
Riyanti
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Agriculture, Biological Sciences & Forestry Humanities Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Environmental Science Health Professions Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Mathematics Medicine & Pharmacology Nursing Physics Public Health Social Sciences Veterinary Other

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In-Silico Optimization of Macrolactin A from Sponge-Associated Bacteria and Its Derivatives as Eco-Friendly Antifoulants Balansa, Walter; Riyanti; Hinonaung, Jelita Siska Herlina
Jurnal Ilmiah PLATAX Vol. 13 No. 2 (2025): ISSUE JULY-DECEMBER 2025
Publisher : Sam Ratulangi University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35800/jip.v13i2.65278

Abstract

Marine biofouling causes significant economic and environmental damage creating an urgent demand for eco-friendly antifoulants. This in silico study aimed to evaluate the antifouling efficacy and ecotoxicological profile of macrolactin A (1), previously isolated from Indonesian sponge-associated Bacillus spp., alongside its computationally generated derivatives (1a-1f, 2a–2k) using Biotransformer 3.0. Molecular docking was utilized to assess binding affinities against key protein targets—the bacterial BAM complex, GSK-3 , and acetylcholinesterase (AChE)—and used EPI Suite™ to predict environmental safety. All tested compounds exhibited robust binding affinities (  kcal/mol) against all targets likely binding to allosteric sites. ANOVA revealed significant differences ( ) in binding strength, with derivatives displaying a distinct preference for GSK-3  over AChE and BAM ( ). However, the broad-spectrum affinity across all three targets supports a potential multi-mechanism mode of action. Crucially, most derivatives showed low toxicity and bioaccumulation potential compared to commercial antifoulants such as Irgarol 1501, SeaNine 211, and Selektope®. Notably, analogues 1a-1c and 2e were predicted to be readily biodegradable. This study identified 1a–1c and 2e as leading candidates for eco-friendly antifoulants and provides a strong basis for future experimental development of novel, sustainable marine coating candidates. Keywords: ecofriendly antifouling; in silico; macrolactin; molecular docking; sponge-associated bacteria
Co-Authors AA Sudharmawan, AA Agus Santoso Andi Nur Azisah Andry Priharta Anindyra Pertiwi Anissa Syafitri Almufaridin Antong Azzahra, Patima Balansa, Walter Budi Wahyudi Citra Afrina Dassaad Dian Septinova Dini Dwi Ermawati Dyah Palupi Eka Yuni Setiawati Fajriko Trysa Gani Febriyani, Dewi Fitri Hafizo Halim Usman Hanifah, Azimah Hartono Hartono Hellen Febriyanti Heru Nurmiaswari Hidayat, Rizqi Rizaldi Hikmah Ifayanti Hinonaung, Jelita Siska Herlina Iktiarni Indah Dwi Cahyani Indah Pratiwi intan Khaira Nova Leni Winarni M.Mawardi Madi Hartono Maryam Maryamah Maulia Isnaini Mohammad Muslimin Muhamad Hildan Habibie Nersiwad Nurheti Pamungkas, Sapto patangkin family, imelda patangkin Prihatiningsih, Isnaini Primadevi, Inggit Purnamasari Puspayani Rahmawati Rapih Mijayanti Refi Meliawati Revi Ridwan Ridwan Setiawan Rifqa Ayu Dasila Rika Riyanti Rudy Sutrisna saka, ridwan Shopiah Sitti Nur Kholifah Aritmal Sofyan Syamsuddin Sri Wahyuny Mustafa Sukri sultan Tiara Putri Permana Trenggono, Mukti Vera Selviana Adoe Yana Novita Zikra Supri Zulhida Tiara Bumi