Marik Tamás, Gufu Bonaya, Vishwanathula Anusha, Balázs Dóra, Rozsnyói Ákos, Terna Gergő, Kovács Fanni, Kocsubé Sándor, Varga Mónika, Szekeres András, Druzhinina Irina S, Vágvölgyi Csaba, Papp Tamás, Tyagi Chetna, Kredics László
Department of Biotechnology and Microbiology, Faculty of Science and Informatics, University of Szeged, Közép Fasor 52, 6726, Szeged, Hungary.
Doctoral School in Biology, Faculty of Science and Informatics, University of Szeged, Szeged, Hungary.
Nat Prod Bioprospect. 2025 Aug 1;15(1):48. doi: 10.1007/s13659-025-00524-9.
This study focuses on the peptaibiome produced by different species of Trichoderma belonging to clade Viride: T. koningii SZMC 28387 (CBS 979.70), T. cf. strigosellum SZMC 28007 (TUCIM 4886/IQ 191), T. cf. dorothopsis SZMC 28390 (TUCIM 416/TUB F-597), T. cf. strigosellum SZMC 28391 (TUCIM 423/DAOM 230018), T. atroviride SZMC 28748 (IMI 206040), T. hamatum SZMC 28747 (TUCIM 2730) and T. cf. dorothopsis SZMC 28005 (TUCIM 4882/IQ 11). We were able to identify new compounds with similarity to already known groups of peptaibiotics, as well as completely newly discovered compounds using high-performance liquid chromatography (HPLC) -mass spectrometry (MS). From the 367 peptaibiotics identified, 216 are peptaibols and 111 are lipopeptaibols. Out of all peptaibols, 55 are previously known, while 161 are newly discovered. The new peptaibol subgroups Strigosellin A, B and Dorothopsin A, B are introduced. Furthermore, besides 38 previously known lipopeptaibols, 73 new lipopeptaibol sequences, named Lipostrigosellins and Lipohamatins are also reported. In addition, 41 peptaibol-like compounds with unusual C-terminus were also found. Out of the 7 strains examined, 5 produced both peptaibols and lipopeptaibols, while 2 only peptaibols. The well-known compound, Trikoningin KA V (TRK-V) also produced by T. koningii SZMC 28387 (CBS 979.70), was studied for its folding dynamics using accelerated molecular dynamics simulations (aMD) for understanding the plausible three-dimensional structures adopted by these peptaibols of clade Viride. We observed a propensity to form kinked, right-handed helical structures when simulated in an aqueous environment.
康氏木霉SZMC 28387（CBS 979.70）、拟串珠木霉SZMC 28007（TUCIM 4886/IQ 191）、拟多罗木霉SZMC 28390（TUCIM 416/TUB F - 597）、拟串珠木霉SZMC 28391（TUCIM 423/DAOM 230018）、深绿木霉SZMC 28748（IMI 206040）、哈茨木霉SZMC 28747（TUCIM 2730）和拟多罗木霉SZMC 28005（TUCIM 4882/IQ 11）。我们能够利用高效液相色谱（HPLC）-质谱（MS）鉴定出与已知肽抗生素组具有相似性的新化合物，以及全新发现的化合物。在鉴定出的367种肽抗生素中，216种是肽菌素，111种是脂肽菌素。在所有肽菌素中，55种是先前已知的，而161种是新发现的。引入了新的肽菌素亚组Strigosellin A、B和Dorothopsin A、B。此外，除了38种先前已知的脂肽菌素外，还报道了73种新的脂肽菌素序列，命名为Lipostrigosellins和Lipohamatins。另外，还发现了41种具有不寻常C末端的类肽菌素化合物。在所检测的7个菌株中，5个菌株同时产生肽菌素和脂肽菌素，而2个菌株仅产生肽菌素。对康氏木霉SZMC 28387（CBS 979.70）产生的著名化合物Trikoningin KA V（TRK - V），利用加速分子动力学模拟（aMD）研究其折叠动力学，以了解绿枝木霉分支中这些肽菌素可能采用的三维结构。我们观察到在水环境中模拟时，其倾向于形成扭结的右手螺旋结构。
