Steroidal Plant Growth Promoters vs. Phytopathogens, via Enzymatic Regulation;An in <i>Silico</i>Approach  

作　　者：Alan Carrasco-Carballo Emiliano Marín-Merino Penélope Merino-Montiel Blanca Colin-Lozano Sandra Luz Cabrera Hilerio Jazmin Ciciolil Hilario-Martínez Jesús Sandoval-Ramírez Alan Carrasco-Carballo;Emiliano Marín-Merino;Penélope Merino-Montiel;Blanca Colin-Lozano;Sandra Luz Cabrera Hilerio;Jazmin Ciciolil Hilario-Martínez;Jesús Sandoval-Ramírez(Laboratorio de Elucidación y Síntesis en Química Orgánica, Facultad de Ciencias Químicas, Benemérita Universidad Autónoma de Puebla, Puebla, México;Laboratorio de Síntesis y Modificación de Productos Naturales, Facultad de Ciencias Químicas, Benemérita Universidad Autónoma de Puebla, Puebla, México;Laboratorio de Bromatología, Facultad de Ciencias Químicas, Benemérita Universidad Autónoma de Puebla, Puebla, México 4Facultad de Estudios Superiores-Zaragoza, UNAM, CDMX, México;Facultad de Estudios Superiores-Zaragoza, UNAM, CDMX, México)

机构地区：[1]Laboratorio de Elucidación y Síntesis en Química Orgánica, Facultad de Ciencias Químicas, Benemérita Universidad Autónoma de Puebla, Puebla, México [2]Laboratorio de Síntesis y Modificación de Productos Naturales, Facultad de Ciencias Químicas, Benemérita Universidad Autónoma de Puebla, Puebla, México [3]Laboratorio de Bromatología, Facultad de Ciencias Químicas, Benemérita Universidad Autónoma de Puebla, Puebla, México 4Facultad de Estudios Superiores-Zaragoza, UNAM, CDMX, México [4]Facultad de Estudios Superiores-Zaragoza, UNAM, CDMX, México

出　　处：《Advances in Enzyme Research》2021年第4期55-71,共17页酶研究进展（英文）

摘　　要：<p style="margin-left:10.0pt;"> <span><span>Steroidal plant growth promoters (SPGP) have been continuously studied due to their high activity increasing biomass and resistance to diverse stress fact</span><span>ors. In our hands, a new SPGP family of 22-oxocholestanic compou</span><span>nds stands out at a comparative level to brassinosteroids (BSs). The potential activity of new SPGP against phytopathogens was studied through </span><i><span>in silico</span></i><span> molecular docking, these assays were performed with relevant ensymes of phytopatogens Chitinase B and 1,3-</span></span><i><span>β</span></i><span>-Glucanase. Nine Chitinase B inhibitors and two 1,3-</span><i><span>β</span></i><span>-Glucanase inhibitors were proposed. The launched study analyzed the interactional and spatial level, determining the presence of interactions with key</span><span> </span><span>amino acid</span><span>s</span><span> in receptors in comparison to reference inhibitors. Even more, the AVR4 and ECP6 effectors were also examined. No compound that blocks ECP6 was found;due to, probably, the influence of its highly hydrophilic environment. In the case of AVR4, two SPGP showed a better docking score (DS) than a chitin fragment (endogenous ligand);this fact demonstrates the latent potential of the 22-oxocholestanic derivatives against phytopathogens, with a specific regulation via proliferation inhibition. Moreover, this SPGP do</span><span>es</span><span> not affect the symbiotic fungi that are beneficial for the natural plant system.</span> </p><p style="margin-left:10.0pt;"> <span><span>Steroidal plant growth promoters (SPGP) have been continuously studied due to their high activity increasing biomass and resistance to diverse stress fact</span><span>ors. In our hands, a new SPGP family of 22-oxocholestanic compou</span><span>nds stands out at a comparative level to brassinosteroids (BSs). The potential activity of new SPGP against phytopathogens was studied through </span><i><span>in silico</span></i><span> molecular docking, these assays were performed with relevant ensymes of phytopatogens Chitinase B and 1,3-</span></span><i><span>β</span></i><span>-Glucanase. Nine Chitinase B inhibitors and two 1,3-</span><i><span>β</span></i><span>-Glucanase inhibitors were proposed. The launched study analyzed the interactional and spatial level, determining the presence of interactions with key</span><span> </span><span>amino acid</span><span>s</span><span> in receptors in comparison to reference inhibitors. Even more, the AVR4 and ECP6 effectors were also examined. No compound that blocks ECP6 was found;due to, probably, the influence of its highly hydrophilic environment. In the case of AVR4, two SPGP showed a better docking score (DS) than a chitin fragment (endogenous ligand);this fact demonstrates the latent potential of the 22-oxocholestanic derivatives against phytopathogens, with a specific regulation via proliferation inhibition. Moreover, this SPGP do</span><span>es</span><span> not affect the symbiotic fungi that are beneficial for the natural plant system.</span> </p>

关 键 词：22-Oxocholestanes BRASSINOSTEROIDS Chitinase B 1 3-β-Glucanase ARV4 ECP6 

分 类 号：O62[理学—有机化学]