Bioherbicides for sustainable barnyard grass management in paddy field: an in-silico perspective
| Autor: | Ajitha Antony, Ramanathan Karuppasamy |
|---|---|
| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Natural Product Research. :1-5 |
| ISSN: | 1478-6427 1478-6419 |
| Popis: | Paddy (Oryza sativa) yield is greatly influenced by the insidious presence of rice-mimicking weed, widely known as barnyard grass. This study explores the promising natural ACCase inhibitors that could enhance paddy yield by controlling weeds. A total of 2828 natural compounds were examined using diverse computational techniques. The results of this study depict that CNP0390839 (xanthoangelol) exhibited a better XP Gscore (−7.328 kcal/mol) and MM/GBSA score (−84.24 kcal/mol) than other investigated compounds. Importantly, ACCase-xanthoangelol complexes was thermodynamically stable with an RMSD value of ∼1.2 nm. Of note, 72% xanthoangelol resides in the Angelica keiskei plant root which exhibits 55% weed-inhibitory action. The A. keiskei plant mainly inhibits the hypocotyl (71.8 ± 5.4%) and root region (55.3 ± 4.7%) of weeds. Moreover, the existence of dihydroxyphenyl scaffold in xanthoangelol was also witnessed in literatures for weed inhibitory action. Overall, xanthoangelol might prove to be an effective ACCase herbicide in paddy weed management. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|