{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,18]],"date-time":"2026-09-18T09:04:10Z","timestamp":1789722250816,"version":"4.0.1"},"reference-count":50,"publisher":"Oxford University Press (OUP)","license":[{"start":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T00:00:00Z","timestamp":1787184000000},"content-version":"am","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/pages\/standard-publication-reuse-rights"}],"funder":[{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2022YFA0912000"],"award-info":[{"award-number":["2022YFA0912000"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100023279","name":"Alliance of International Science Organizations","doi-asserted-by":"publisher","award":["ANSO-CR-PP-2022-08"],"award-info":[{"award-number":["ANSO-CR-PP-2022-08"]}],"id":[{"id":"10.13039\/501100023279","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Feruloyl esterases (FAEs) release ferulic acid from plant cell walls but suffer from low efficiency and poor stability. A putative FAE (FAE-BSaf) from Bacillus safensis was expressed in Bacillus subtilis via a non-classical pathway, exhibiting optimal activity at 55\u202f\u00b0C and pH\u202f8.5. Using AlphaFold3 modeling and \u0394\u0394G predictions, variant L13W showed 1.5-fold higher specific activity than the wild type, while G72P enhanced ferulic acid release from wheat bran only when expressed in B. subtilis 166D4. Alanine scanning confirmed His144 and His274 as essential catalytic residues, indicating that the targeted modification of the substrate-binding pocket is a viable strategy to improve FAEs for lignocellulose bioconversion.<\/jats:p>","DOI":"10.1093\/bbb\/zbag122","type":"journal-article","created":{"date-parts":[[2026,8,19]],"date-time":"2026-08-19T11:53:08Z","timestamp":1787140388000},"source":"Crossref","is-referenced-by-count":0,"title":["Computational simulation to improve the activity of a heterologous feruloyl esterase secreted by\n                    <i>Bacillus subtilis<\/i>"],"prefix":"10.1093","author":[{"given":"Menghui","family":"Fan","sequence":"first","affiliation":[{"name":"Pharmacological Research of Gastrointestinal Cancer, The Second Affiliated Hospital, School of Basic Medical Sciences, Hengyang Medical School, University of South China , Hengyang ,","place":["China"]},{"name":"Low Carbon Biotransformation Lab, Shanghai Advanced Research Institute, Chinese Academy of 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Biotechnology, Faculty of Technology and Metallurgy, University of Belgrade , Belgrade ,","place":["Serbia"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Minghua","family":"Ji","sequence":"additional","affiliation":[{"name":"Low Carbon Biotransformation Lab, Shanghai Advanced Research Institute, Chinese Academy of Sciences , Pudong, Shanghai ,","place":["China"]},{"name":"University of Chinese Academy of Sciences , Beijing ,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Junsong","family":"Sun","sequence":"additional","affiliation":[{"name":"Low Carbon Biotransformation Lab, Shanghai Advanced Research Institute, Chinese Academy of Sciences , Pudong, Shanghai ,","place":["China"]},{"name":"School of Life Science and Technology, ShanghaiTech University , Shanghai ,","place":["China"]},{"name":"University of Chinese Academy of Sciences , Beijing 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