Deciphering the Biomolecules from Bacillus atrophaeus NMB01 Untangles the Anti-Oomycetes Action of Trioxsalen and Corynan-17-ol, Against Phytophthora infestans Inciting Late Blight of Potato

Abstract

The antagonistic Bacillus spp. is known well for the production of versatile antimicrobial biomolecules with broad spectrum of action against different types of plant pathogens. Considering the significance of metabolically active biomolecules, attempts were made to decipher the anti-oomycete nature of biomolecules produced by Bacillus atrophaeus NMB01 during di-trophic interaction with Phytophthora infestans. Ten biomolecules produced by B. atrophaeus NMB01 during di-trophic interaction with P. infestans were docked against the twelve target proteins of P. infestans. Molecular docking of biomolecules reported trioxsalen and corynan-17-ol,18,19-didehydro-10-methoxy-acetate(ester) as best hits with highest binding energy in the range of - 7.5 to - 5 kcal/mol against target proteins of P. infestans. Comparatively less binding energy was observed for commercially available fungicides mandipropamid and metalaxyl on docking against the target proteins of P. infestans. We also confirmed the direct impact of trioxsalen andcorynan-17-ol, on P. infestans under in vitro with 66% and 50% inhibition of mycelial growth of P. infestans, respectively. This is the first study attempted to untangle the role of bioactive anti-oomycete compounds produced by B. atrophaeus strain NMB01 during di-trophic interaction with P. infestans against late blight pathogen P. infestans infecting potato. From the present study, we conclude that the biomolecules, trioxsalen and corynan-17-ol, can be explored for the management of P. infestans, the incitant of late blight of potato.

Supplementary information: The online version contains supplementary material available at 10.1007/s12088-022-01044-7.

Keywords: Bacillus atrophaeus NMB01; Corynan-17-ol,18,19-didehydro-10-methoxy-, acetate (ester); Molecular docking; Phytophthora infestans; Trioxsalen.

Fig. 1

Illustrative diagram representing the protein–ligand interaction among twelve target proteins of P. infestans and the bioactive compound corynan-17-ol,18,19-didehydro-10-methoxy-,acetate(ester). 2D structure which is in blue colour depicts the various types of interaction between them. [ARP- Autophagy-related protein 8; bZIP- bZIP transcription factor 1; CMN- Calmodulin; CAN- Calreticulin; CYT- Cytochrome c oxidase subunit 1; GIP- Glucanase inhibitor protein 3; MET- Methionine aminopeptidase; RIB- Ribokinase; RXLR- RxLR effector protein Avr1; SER- Serine/threonine-protein kinase PKZ1; SUC- Succinate dehydrogenase [ubiquinone] iron-sulfursubunit,mitochondrial; UNC-Uncharacterized protein (PITG_15862)]

Fig. 2

Illustrative diagram representing the protein–ligand interaction among twelve target proteins of P. infestans and the bioactive compound trioxsalen. 2D structure which is in green colour depicts the various types of interaction between them. [ARP- Autophagy-related protein 8; bZIP- bZIP transcription factor 1; CMN- Calmodulin; CAN- Calreticulin; CYT- Cytochrome c oxidase subunit 1; GIP- Glucanase inhibitor protein 3; MET- Methionine aminopeptidase; RIB- Ribokinase; RXLR- RxLR effector protein Avr1; SER- Serine/threonine-protein kinase PKZ1; SUC- Succinate dehydrogenase [ubiquinone] iron-sulfursubunit,mitochondrial; UNC-Uncharacterized protein (PITG_15862)]

Fig. 3

Inhibitory effect of trioxsalena and corynan-17-ol, 18,19-didehydro-10-methoxy-, acetate (ester) b on the mycelial growth of P. infestans, untreated control c and the abnormalities in the morphology of P. infestans under scanning electron microscopy. d hypha with protrusions under the effect of trioxsalen, e swollen and hypha with hole due to the effect of corynan-17-ol, 18,19-didehydro-10-methoxy-, acetate (ester),f healthy hypha of P. infestans, ginhibitory effect of mandipropamid and hmetalaxyl on the mycelial growth of P. infestans