TITLE:
Steroidal Plant Growth Promoters vs. Phytopathogens, via Enzymatic Regulation; An in Silico Approach
AUTHORS:
Alan Carrasco-Carballo, Emiliano Marín-Merino, Penélope Merino-Montiel, Blanca Colin-Lozano, Sandra Luz Cabrera Hilerio, Jazmin Ciciolil Hilario-Martínez, Jesús Sandoval-Ramírez
KEYWORDS:
22-Oxocholestanes, Brassinosteroids, Chitinase B, 1, 3-β-Glucanase, ARV4, ECP6
JOURNAL NAME:
Advances in Enzyme Research,
Vol.9 No.4,
November
25,
2021
ABSTRACT: Steroidal plant growth promoters (SPGP) have been continuously studied
due to their high activity increasing biomass and resistance to diverse stress
factors. In our hands, a new SPGP family of
22-oxocholestanic compounds stands out at a comparative level to
brassinosteroids (BSs). The potential activity of new SPGP against
phytopathogens was studied through in silico molecular docking, these
assays were performed with relevant ensymes of phytopatogens Chitinase B and
1,3-β-Glucanase. Nine Chitinase
B inhibitors and two 1,3-β-Glucanase inhibitors were
proposed. The launched study analyzed the interactional and spatial level,
determining the presence of interactions with key amino acids 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 does not affect the symbiotic
fungi that are beneficial for the natural plant system.