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Structural modification of natural products is a key strategy in drug discovery. In this work, a series of camphor derivatives were synthesized by incorporating heteroaromatic aldehydes, and their anticancer and antioxidant potential was evaluated through an integrated in vitro and in silico approach. The results highlighted the thiophene 5 and benzofuran 9 derivatives as the most potent agents, exhibiting high selective cytotoxicity against gastric, colon, and prostate cancer cell lines, with IC₅₀ values as low as 31.8 µM and a selectivity index of 7.0. The cytotoxic mechanism was found to be mediated by apoptosis induction via the mitochondrial pathway. Moreover, these active compounds displayed a favorable safety profile, showing low hemolytic activity and low predicted toxicological risk according to computational models. Overall, these findings demonstrate that camphor functionalization with specific heterocycles represents an effective strategy for developing novel anticancer drug candidates with high selectivity and a promising safety profile.

In order to find molecules of natural origin with potential biological activities, we isolate and synthesise compounds with agarofuran skeletons (epoxyeudesmanes). From the seeds of Maytenus disticha and Maytenus magellanica we obtained six dihydro-β-agarofurans, and by means of the Robinson annulation reaction we synthesised five compounds with the same skeleton. The structures were established on the basis of NMR, IR, and MS. The evaluated compounds showed inhibitory activity on the acetylcholinesterase enzyme and on the COX enzymes. Compound 4 emerged as the most potent in the acetylcholinesterase inhibition assay with IC 50 17.0 ± 0.016 µM on acetylcholinesterase (AChE). The compounds evaluated were shown to be selective for AChE. The molecular docking, and the propidium displacement assay suggested that the compounds do not bind to the active site of the enzyme AChE, but rather bind to the peripheral anionic site (PAS) of the enzyme, on the other hand, the natural compound 8, showed the best inhibitory activity on the COX-2 enzyme with an IC 50 value of 0.04 ± 0.007 µM. The pharmacokinetic profile calculated in silico using the SWISSADME platform shows that these molecules could be considered as potential drugs for the treatment of neurodegenerative diseases such as AD.

The Chilean plants Discaria chacaye, Talguenea quinquenervia (Rhamnaceae), Peumus boldus (Monimiaceae), and Cryptocarya alba (Lauraceae) were evaluated against Codling moth: Cydia pomonella L. (Lepidoptera: Tortricidae) and fruit fly Drosophila melanogaster (Diptera: Drosophilidae), which is one of the most widespread and destructive primary pests of Prunus (plums, cherries, peaches, nectarines, apricots, almonds), pear, walnuts, and chestnuts, among other. Four benzylisoquinoline alkaloids (coclaurine, laurolitsine, boldine, and pukateine) were isolated from the above mentioned plant species and evaluated regarding their insecticidal activity against the codling moth and fruit fly. The results showed that these alkaloids possess acute and chronic insecticidal effects. The most relevant effect was observed at 10 µg/mL against D. melanogaster and at 50 µg/mL against C. pomonella, being the alteration of the feeding, deformations, failure in the displacement of the larvae in the feeding medium of D. melanogaster, and mortality visible effects. In addition, the docking results show that these type of alkaloids present a good interaction with octopamine and ecdysone receptor showing a possible action mechanism.

Bioinsecticides based on essential oils (EOs) are promising alternatives for agricultural insect control. In this study, the main compounds of Baccharis macraei EOs from two geographical areas were identified using gas chromatography–mass spectrometry (GC-MS). The insecticidal potential against Drosophila melanogaster, Tenebrio molitor, and Galleria mellonella was evaluated, along with acetylcholinesterase (AChE) inhibition and molecular docking analysis. GC-MS analysis revealed oxygenated sesquiterpenes, such as spathulenol, caryophyllene oxide, and α-cadinol. The EO from Site 1 (S1) exhibited insecticidal activity with lethal dose 50 (LD50) values of 46.50, 465.76, and 241.2 µg/mL for D. melanogaster, T. molitor, and G. mellonella, respectively. The EO from Site 2 (S2) showed LD50 values of 74.81, 385.62, and 195.2 µg/mL for the same pests. AChE inhibition yielded inhibitory concentration 50 (IC50) values of 12.8 ± 0.13 µg/mL for S1 and 11.7 ± 0.07 µg/mL for S2. Molecular docking analysis revealed a strong binding energy between α-cadinol and AChE. These results highlight that EOs from B. macraei are effective and serve as a natural alternative to traditional insecticides.

Carbohydrates from lignocellulosic feed can be released by basidiomycete fungi for ruminal fermentation. This study aimed to evaluate the bioconversion of hay of ryegrass-fescue (Lolium perenne—Festuca arundinácea) by solid state fermentation with Pleurotus ostreatus, to obtain superior quality hay. After only 14 days of fermentation, crude protein (CP) (4.73 to 5.16%), and non-fibrous carbohydrates (NFC) (20.84 to 25.04%) increased, while neutral detergent fiber (NDF) (68.72 to 64.87%) and acid detergent lignin (5.88 to 1.98%) decreased. The enzymatic biodegradation carried out by P. ostreatus was verified, through measurements of enzymatic activity. Lignin peroxidase (LiP) and laccase (Lac) reached the higher activity on day 14 (19.51 U/L and 34.17 U/L, respectively), whereas manganese peroxidase (MnP) displayed stability up to 21 days of fermentation (between 6.54 and 7.75 U/L). In conclusion, results indicate that lignocellulosic feed bioconversion by P. ostreatus is promising to improve the ruminal fermentation of fibrous feedstocks and 14 days were considered to be optimal for hay fermentation.

The purpose of this study was to determine the inhibitory capacity of ceanothanes triterpenes isolate from Chilean Rhamnaceae on acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. Seven ceanothanes triterpenes were isolated from aerial parts of plant material by classical phytochemical methods or prepared by the hemisynthetic method. Structures were determined by the spectroscopic method (1H-NMR and 13C NMR) and mass spectrometry (MS). AChE and BChE activity were determined by the Ellmann method for all compounds. All tested compounds exerted a greater affinity to AChE than to BChE, where compound 3 has an IC50 of 0.126 uM for AChE and of >500 uM to BChE. Kinetic studies indicated that its inhibition was competitive and reversible. According to the molecular coupling and displacement studies of the propidium iodide test, the inhibitory effect of compound 3 would be produced by interaction with the peripheral anionic site (PAS) of AChE. The compounds tested (1–7) showed an important inhibitory activity of AChE, binding to PAS. Therefore, inhibitors that bind to PAS would prevent the formation of the AChE-Aβ complex, constituting a new alternative in the treatment of Alzheimer’s disease (AD).

Alzheimer’s disease (AD) is a multifactorial and fatal neurodegenerative disorder. Acetylcholinesterase (AChE) plays a key role in the regulation of the cholinergic system and particularly in the formation of amyloid plaques; therefore, the inhibition of AChE has become one of the most promising strategies for the treatment of AD, particularly concerning AChE inhibitors that interact with the peripheral anionic site (PAS). Ceanothic acid isolated from the Chilean Rhamnaceae plants is an inhibitor of AChE through its interaction with PAS. In this study, six ceanothic acid derivatives were prepared, and all showed inhibitory activity against AChE. The structural modifications were performed starting from ceanothic acid by application of simple synthetic routes: esterification, reduction, and oxidation. AChE activity was determined by the Ellmann method for all compounds. Kinetic studies indicated that its inhibition was competitive and reversible. According to the molecular coupling and displacement studies of the propidium iodide test, the inhibitory effect of compounds would be produced by interaction with the PAS of AChE. In silico predictions of physicochemical properties, pharmacokinetics, drug-likeness, and medicinal chemistry friendliness of the ceanothane derivatives were performed using the Swiss ADME tool.