{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,15]],"date-time":"2026-10-15T14:56:56Z","timestamp":1792076216978,"version":"4.4.0"},"reference-count":49,"publisher":"Wiley","issue":"8","license":[{"start":{"date-parts":[[2026,5,9]],"date-time":"2026-05-09T00:00:00Z","timestamp":1778284800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,5,9]],"date-time":"2026-05-09T00:00:00Z","timestamp":1778284800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["scijournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Pest Management Science"],"published-print":{"date-parts":[[2026,8]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:sec>\n                    <jats:title>BACKGROUND<\/jats:title>\n                    <jats:p>Fungicides remain the primary approach for preventing and controlling agricultural and forestry fungal diseases. However, the inevitable emergence of antifungal drug resistance in plant pathogenic fungi necessitates novel multi\u2010target fungicides.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>RESULTS<\/jats:title>\n                    <jats:p>\n                      A series of novel indole\u20103\u2010pyrimidine hydrazones were designed and synthesized using pharmacophore fusion\/fragment hybridization strategies, with ferimzone, PMDD\u20105Y, melatonin, and chloroinconazide as lead compounds. All synthesized compounds exhibited inhibitory effects against the tested seven agricultural and forestry pathogens. Notably, compound IPH\u201018 exhibits excellent broad\u2010spectrum activity, with inhibition rates exceeding 90% against\n                      <jats:italic>Cytospora chrysosperma, Magnaporthe oryzae<\/jats:italic>\n                      , and\n                      <jats:italic>Fusarium graminearum<\/jats:italic>\n                      at 50\u2009\u03bcg\/mL (half\u2010maximal effective concentration (EC\n                      <jats:sub>50<\/jats:sub>\n                      ) =\u20096.98, 6.62, and 8.18\u2009\u03bcg\/mL, respectively), outperforming the positive control azoxystrobin.\n                      <jats:italic>In vivo<\/jats:italic>\n                      trials revealed that IPH\u201018 (20 and 50\u2009\u03bcg\/mL) effectively suppressed\n                      <jats:italic>Sphaeropsis sapinea<\/jats:italic>\n                      infection, demonstrating bioactivity comparable to the commercial fungicide carbendazim. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) confirmed that IPH\u201018 disrupts pathogenic fungi by damaging submicro\u2010 and ultra\u2010structural components (cell wall and membrane). Quantitative structure\u2013activity relationship (QSAR) modeling further revealed that introducing unsaturated substituents and electronegative atoms significantly enhanced antifungal potency. Molecular docking simulation results demonstrate that compound IPH\u201018 displays promising multi\u2010target inhibitory activity. The calculated binding energies for glycogen synthase, enoyl\u2010CoA hydratase, glutathione\n                      <jats:italic>S<\/jats:italic>\n                      \u2010transferase, monopolar spindle kinase 1 (Mps\u20101), and laccase were \u22128.12, \u22128.56, \u22128.05, \u22127.80, and \u22127.92\u2009kcal\/mol, respectively.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>CONCLUSIONS<\/jats:title>\n                    <jats:p>The QSAR analysis of 34 novel indole\u20103\u2010pyrimidine hydrazones, combined with molecular docking simulations, established a crucial theoretical foundation for developing multi\u2010target fungicides by enabling structural optimization and elucidating precise fungicidal mechanisms of action. \u00a9 2026 Society of Chemical Industry.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.1002\/ps.70813","type":"journal-article","created":{"date-parts":[[2026,5,10]],"date-time":"2026-05-10T03:34:36Z","timestamp":1778384076000},"page":"7483-7496","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Design, synthesis, and quantitative structure\u2013activity modeling of indole\u20103\u2010pyrimidine hydrazone derivatives as novel antifungal agents"],"prefix":"10.1002","volume":"82","author":[{"ORCID":"https:\/\/orcid.org\/0009-0005-5671-1981","authenticated-orcid":false,"given":"Hanbao","family":"Zhang","sequence":"first","affiliation":[{"name":"College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ye","family":"Wu","sequence":"additional","affiliation":[{"name":"College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tongyu","family":"Guo","sequence":"additional","affiliation":[{"name":"College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lei","family":"Xiao","sequence":"additional","affiliation":[{"name":"College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chunxia","family":"Chen","sequence":"additional","affiliation":[{"name":"College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"},{"name":"Center for Innovative Research in Synthetic Chemistry and Resource Utilization, College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yining","family":"Lei","sequence":"additional","affiliation":[{"name":"College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0005-0237-0720","authenticated-orcid":false,"given":"Lihong","family":"Fan","sequence":"additional","affiliation":[{"name":"College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinyi","family":"Zhao","sequence":"additional","affiliation":[{"name":"College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lianxu","family":"Shi","sequence":"additional","affiliation":[{"name":"College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jinsong","family":"Peng","sequence":"additional","affiliation":[{"name":"College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. China"},{"name":"Center for Innovative Research in Synthetic Chemistry and Resource Utilization, College of Chemistry, Chemical Engineering and Resource Utilization Northeast Forestry University  Harbin P. R. 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