Phytochemical Profile and Herbicidal (Phytotoxic), Antioxidants Potential of Essential Oils from Calycolpus goetheanus (Myrtaceae) Specimens, and in Silico Study

Abstract

The essential oil (EO) of Calycolpus goetheanus (Myrtaceae) specimens (A, B, and C) were obtained through hydrodistillation. The analysis of the chemical composition of the EOs was by gas chromatography coupled with mass spectrometry CG-MS, and gas chromatography coupled with a flame ionization detector CG-FID. The phytotoxic activity of those EOs was evaluated against two weed species from common pasture areas in the Amazon region: Mimosa pudica L. and Senna obtusifolia (L.) The antioxidant capacity of the EOs was determined by (DPPH•) and (ABTS•+). Using molecular docking, we evaluated the interaction mode of the major EO compounds with the molecular binding protein 4-hydroxyphenylpyruvate dioxygenase (HPPD). The EO of specimen A was characterized by β-eudesmol (22.83%), (E)-caryophyllene (14.61%), and γ-eudesmol (13.87%), while compounds 1,8-cineole (8.64%), (E)-caryophyllene (5.86%), δ-cadinene (5.78%), and palustrol (4.97%) characterize the chemical profile of specimen B’s EOs, and specimen C had α-cadinol (9.03%), δ-cadinene (8.01%), and (E)-caryophyllene (6.74%) as the majority. The phytotoxic potential of the EOs was observed in the receptor species M. pudica with percentages of inhibition of 30%, and 33.33% for specimens B and C, respectively. The EOs’ antioxidant in DPPH• was 0.79 ± 0.08 and 0.83 ± 0.02 mM for specimens A and B, respectively. In the TEAC, was 0.07 ± 0.02 mM for specimen A and 0.12 ± 0.06 mM for specimen B. In the results of the in silico study, we observed that the van der Waals and hydrophobic interactions of the alkyl and pi-alkyl types were the main interactions responsible for the formation of the receptor–ligand complex.

Chemical Evaluation, Phytotoxic Potential, and In Silico Study of Essential Oils from Leaves of Guatteria schomburgkiana Mart. and Xylopia frutescens Aubl. (Annonaceae) from the Brazilian Amazon

“…Regarding the inhibitory effects on root elongation, the EO of Xfru showed the highest inhibition potential at 55.22 ± 2.72% ( M. pudica) , while for S. obtusifolia , the value was 60.43 ± 4.63%. The present results are different from those observed by Franco et al [ 24 ] for the EO from Calycolpus goetheanus specimen C, which showed inhibition values of 33.33 ± 5.77% and 6.67 ± 5.77% for M. pudica and S. obtusifolia , respectively.…”

“…S. obtusifolia also causes toxicity in cattle [ 22 ]. Recent studies investigated the phytotoxic potential of EOs on these two invasive species with the aim of benefiting local agroindustry [ 23 , 24 , 25 ].…”

Antiproliferative activity from five Myrtaceae essential oils

“…(Stefanello et al 2011;Cascaes et al 2015). In a previous study of the EOs leaves composition, Calycolpus goetheanus (Myrtaceae) presented -cadinol (9.03%) (Franco et al, 2022), and germacrene D was characterized by the EOs of M. tomentosa (11.45%) (Franco et al, 2021). Ledol was characterized in the leaves of M. hatschbachii D.…”

Characterization of SchTPSs Enables Construction of Yeast for the Bioproduction of α-Cadinol and the Related Sesquiterpenes

“…Among eight products of SchTPS6, all seven previously elucidated compounds including 7 , , 9 , 15 , 22 , , 24 , 26, , and 27 , ,, possess insecticidal, fungicidal, and/or herbicidal activities (Figure A, C). Hence, we sought to enhance their production in yeast, which may lay a foundation for the development of agrochemical mixtures.…”

“…Intriguingly, seven out of eight products of SchTPS6 in S. cerevisiae were reported to have insecticidal, fungicidal, and/or herbicidal activities. ,,− We next constructed an engineered S. cerevisiae in which the titers of two major products α-cadinol and τ-muurolol reached 46.2 ± 4.0 and 11.2 ± 1.4 mg/L, respectively.…”