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In vitro hyphal measurements were used to investigate the antifungal activities of the synthesised compounds against\n                    <jats:italic>Wheat gibberellic<\/jats:italic>\n                    ,\n                    <jats:italic>Maize rough dwarf<\/jats:italic>\n                    and\n                    <jats:italic>Glomerella cingulate<\/jats:italic>\n                    . The preliminary studies indicated that all compounds had good inhibitory effect on\n                    <jats:italic>Wheat gibberellic<\/jats:italic>\n                    and\n                    <jats:italic>Maize rough dwarf<\/jats:italic>\n                    , among which the compounds of\n                    <jats:bold>AS\u20101<\/jats:bold>\n                    (7.44\u2005mg\/L, 7.27\u2005mg\/L),\n                    <jats:bold>AS\u20104<\/jats:bold>\n                    (6.80\u2005mg\/L, 9.57\u2005mg\/L) and\n                    <jats:bold>AS\u201014<\/jats:bold>\n                    (5.33\u2005mg\/L, 6.53\u2005mg\/L) showed better antifungal activity than that of the standard drug fluconazole (7.66\u2005mg\/L, 6.72\u2005mg\/L); while inhibitory effect against\n                    <jats:italic>Glomerella cingulat<\/jats:italic>\n                    e was poor, only\n                    <jats:bold>AS\u201014<\/jats:bold>\n                    (5.67\u2005mg\/L) was superior to that of fluconazole (6.27\u2005mg\/L). The research of structure\u2010activity relationship exhibited that the introduction of halogen elements on the benzene ring and electron withdrawing groups at the 2,4,5 positions on the benzene ring was beneficial to the improvement of the activity against\n                    <jats:italic>Wheat gibberellic<\/jats:italic>\n                    , while the large steric hindrance was not conducive to the improvement of the activity. Additionally, except for\n                    <jats:bold>AS\u20101<\/jats:bold>\n                    ,\n                    <jats:bold>AS\u20103<\/jats:bold>\n                    and\n                    <jats:bold>AS\u201010<\/jats:bold>\n                    , the other compounds had one or several ratio systems to achieve synergistic effect after recombination with pyrimethamine, among which\n                    <jats:bold>AS\u20107<\/jats:bold>\n                    had significant synergistic effect and was expected to be a combinated agent with application prospects. Finally, the molecular docking results of isocitrate lyase with\n                    <jats:italic>Wheat gibberellic<\/jats:italic>\n                    displayed that the presence of hydrogen bonds enabled stable binding of compounds to receptor proteins, and the residues of ARG A: 252, ASN A: 432, CYS A: 215, SER A: 436 and SER A: 434 were the key residues for their binding. Comparing the docking binding energy and biological activity results, it was revealed that the lower the docking binding energy was, the stronger the inhibitory ability of the\n                    <jats:italic>Wheat gibberellic<\/jats:italic>\n                    , when the same position on the benzene ring was substituted.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202201107","type":"journal-article","created":{"date-parts":[[2023,2,19]],"date-time":"2023-02-19T22:13:48Z","timestamp":1676844828000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":20,"title":["Antifungal Activity, Structure\u2010Activity Relationship and Molecular Docking Studies of 1,2,4\u2010Triazole Schiff Base Derivatives"],"prefix":"10.1002","volume":"20","author":[{"given":"Yangming","family":"Dong","sequence":"first","affiliation":[{"name":"Department of Chemical Engineering Xi'an Key Laboratory of Special Energy Materials Northwest University  Xi'an 710069 P. 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