{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T19:26:00Z","timestamp":1792092360184,"version":"4.4.0"},"reference-count":47,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2025,7,30]],"date-time":"2025-07-30T00:00:00Z","timestamp":1753833600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"National Major Scientific Instruments and Equipments Development Project of National Natural Science Foundation of China","award":["32327801"],"award-info":[{"award-number":["32327801"]}]},{"name":"National Major Scientific Instruments and Equipments Development Project of National Natural Science Foundation of China","award":["2020YFA0907800"],"award-info":[{"award-number":["2020YFA0907800"]}]},{"name":"National Major Scientific Instruments and Equipments Development Project of National Natural Science Foundation of China","award":["2022CXGC020206"],"award-info":[{"award-number":["2022CXGC020206"]}]},{"name":"National Major Scientific Instruments and Equipments Development Project of National Natural Science Foundation of China","award":["2022SFGC0104"],"award-info":[{"award-number":["2022SFGC0104"]}]},{"name":"National Key Research and Development Program of China","award":["32327801"],"award-info":[{"award-number":["32327801"]}]},{"name":"National Key Research and Development Program of China","award":["2020YFA0907800"],"award-info":[{"award-number":["2020YFA0907800"]}]},{"name":"National Key Research and Development Program of China","award":["2022CXGC020206"],"award-info":[{"award-number":["2022CXGC020206"]}]},{"name":"National Key Research and Development Program of China","award":["2022SFGC0104"],"award-info":[{"award-number":["2022SFGC0104"]}]},{"name":"Research and Development Plan in Shandong Province","award":["32327801"],"award-info":[{"award-number":["32327801"]}]},{"name":"Research and Development Plan in Shandong Province","award":["2020YFA0907800"],"award-info":[{"award-number":["2020YFA0907800"]}]},{"name":"Research and Development Plan in Shandong Province","award":["2022CXGC020206"],"award-info":[{"award-number":["2022CXGC020206"]}]},{"name":"Research and Development Plan in Shandong Province","award":["2022SFGC0104"],"award-info":[{"award-number":["2022SFGC0104"]}]},{"name":"the Key R &amp; D Program of Shandong Province, China,","award":["32327801"],"award-info":[{"award-number":["32327801"]}]},{"name":"the Key R &amp; D Program of Shandong Province, China,","award":["2020YFA0907800"],"award-info":[{"award-number":["2020YFA0907800"]}]},{"name":"the Key R &amp; D Program of Shandong Province, China,","award":["2022CXGC020206"],"award-info":[{"award-number":["2022CXGC020206"]}]},{"name":"the Key R &amp; D Program of Shandong Province, China,","award":["2022SFGC0104"],"award-info":[{"award-number":["2022SFGC0104"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Antimicrobial peptides (AMPs) provide a robust alternative to conventional antibiotics, combating escalating microbial resistance through their diverse functions and broad pathogen-targeting abilities. While current deep learning technologies enhance AMP generation, they face challenges in developing multifunctional AMPs due to intricate amino acid interdependencies and limited consideration of diverse functional activities. To overcome this challenge, we introduce a novel de novo multifunctional AMP design framework that enhances a Feedback Generative Adversarial Network (FBGAN) by integrating a global quantitative AMP activity regression module and a multifunctional-attribute integrated prediction module. This integrated approach not only facilitates the automated generation of potential AMP candidates, but also optimizes the network\u2019s ability to assess their multifunctionality. Initially, by integrating an effective pre-trained regression and classification model with feedback-loop mechanisms, our model can not only identify potential valid AMP candidates, but also optimizes computational predictions of Minimum Inhibitory Concentration (MIC) values. Subsequently, we employ a combinatorial predictor to simultaneously identify and predict five multifunctional AMP bioactivities, enabling the generation of multifunctional AMPs. The experimental results demonstrate the efficiency of generating AMPs with multiple enhanced antimicrobial properties, indicating that our work can provide a valuable reference for combating multi-drug-resistant infections.<\/jats:p>","DOI":"10.3390\/ijms26157387","type":"journal-article","created":{"date-parts":[[2025,7,30]],"date-time":"2025-07-30T16:09:27Z","timestamp":1753891767000},"page":"7387","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["Computational Design of Potentially Multifunctional Antimicrobial Peptide Candidates via a Hybrid Generative Model"],"prefix":"10.3390","volume":"26","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8390-3229","authenticated-orcid":false,"given":"Fangli","family":"Ying","sequence":"first","affiliation":[{"name":"Department of Computer Science and Engineering, State Key Laboratory of Bioreactor Engineering, East China University of Science and Technology, Shanghai 200237, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wilten","family":"Go","sequence":"additional","affiliation":[{"name":"Department of Computer Science and Engineering, State Key Laboratory of Bioreactor Engineering, East China University of Science and Technology, Shanghai 200237, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zilong","family":"Li","sequence":"additional","affiliation":[{"name":"Department of Computer Science and Engineering, State Key Laboratory of Bioreactor Engineering, East China University of Science and Technology, Shanghai 200237, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chaoqian","family":"Ouyang","sequence":"additional","affiliation":[{"name":"Department of Computer Science and Engineering, State Key Laboratory of Bioreactor Engineering, East China University of Science and Technology, Shanghai 200237, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2289-3116","authenticated-orcid":false,"given":"Aniwat","family":"Phaphuangwittayakul","sequence":"additional","affiliation":[{"name":"International College of Digital Innovation, Chiang Mai University, Chiang Mai 50200, Thailand"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4779-0268","authenticated-orcid":false,"given":"Riyad","family":"Dhuny","sequence":"additional","affiliation":[{"name":"Department of Creative Arts, Film and Media Technologies, University of Technology, Mauritius, La Tour Koenig, Pointe-aux-Sables 11134, Mauritius"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,7,30]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"457","DOI":"10.1038\/nature10388","article-title":"Antibiotic resistance is ancient","volume":"477","author":"King","year":"2011","journal-title":"Nature"},{"key":"ref_2","doi-asserted-by":"crossref","unstructured":"Gaspar, D., Veiga, A.S., and Castanho, M.A.R.B. 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