RT journal article
T1 Allelopathic studies with furanocoumarins isolated from Ducrosia anethifolia. In vitro and in silico investigations to protect legumes, rice and grain crops
A1 Rodríguez Mejías, Francisco Javier
A1 Mottaghipisheh, J.
A1 Schwaiger, Stefan
A1 Kiss, T.
A1 Csupor, D.
A1 Varela Montoya, Rosa María
A1 Macías Domínguez, Francisco Antonio
A2 Química Orgánica
K1 Furocoumarin
K1 Natural product
K1 Molecular dynamics
K1 Portulaca oleracea
K1 Lolium rigidum
K1 Plantago lanceolata
K1 Bioherbicide
K1 Allelopathy
K1 Weed control
AB Six different furanocoumarins were isolated from the aerial parts of Ducrosia anethifolia and tested in vitro for plant cell elongation in etiolated wheat coleoptile. They were also tested for their ability to control three different weeds: ribwort plantain, annual ryegrass, and common purslane. These compounds exhibited strong inhibition of plant cell elongation. In the case of (+)-heraclenin, the IC50 was lower than 20 μM, indicating a better inhibition than the positive control Logran®. Computational experiments for docking and molecular dynamics revealed for the investigated furanocoumarins bearing an epoxide moiety an improved fitting and stronger interaction with the auxin-like TIR1 ubiquitin ligase. Furthermore, the formed inhibition complex remained also stable during dynamic evaluation. Bidental interaction at the active site, along with an extended hydrogen-bond lifetime, explained the enhanced activity of the epoxides. The in vitro weed bioassay results showed that Plantago lanceolata was the most affected weed for germination, root, and shoot development. In addition, (+)-heraclenin displayed better inhibition values than positive control even at 300 μM concentration.
PB Phytochemistry
SN 0031-9422
YR 2023
FD 2023
LK http://hdl.handle.net/10498/31582
UL http://hdl.handle.net/10498/31582
LA eng
DS Repositorio Institucional de la Universidad de Cádiz
RD 06-nov-2026