article · International Journal of Food Properties
An aqueous extract from the root bark of Juglans regia was profiled to identify its phytochemical constituents and assess its biological properties. Spectroscopic and chromatographic techniques confirmed the presence of distinct biomolecules. Laboratory tests demonstrated notable antibacterial effects, the inhibition of microbial biofilm development, and insecticidal capacity at a concentration of 100 micrograms per millilitre. The extract also resulted in 50 percent lethality against Leishmania amazonensis promastigotes. Computational docking revealed that these observed activities correlate with specific compounds, namely coumarin, epicatechin, and juglone, which form stable hydrogen bonds with target microbial, human, and parasitic enzymes. Further predictive assessments showed that these key phytochemicals meet standard drug-likeness rules and possess favourable absorption, distribution, metabolism, and excretion characteristics.
Finding naturally derived substances with multiple therapeutic and pest-control properties is vital for addressing drug-resistant microbes, parasitic infections, and insect pests. By demonstrating that walnut root compounds effectively target relevant disease-causing mechanisms and comply with standard drug development criteria, this research highlights potential natural candidates for new treatments and bio-based pest interventions.
The findings suggest early-stage potential for pharmaceutical and agricultural developers seeking natural antimicrobials, anti-leishmanial treatments, or pest control formulations. Given that the evidence is based purely on in vitro and computational assessments, significant laboratory optimisation, safety testing, and in vivo trials will be required before any commercial applications can be realised.
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The Juglans regia root aqueous extract (JRRAE) phytochemical variability and the investigation of their antimicrobial, antibiofilm, insecticidal, and anti-leishmanial properties were studied. As a result, the JRRAE chemical profile revealed the presence of biomolecules using UV, HPLC, and FT-IR analysis. The investigations showed marked antibacterial activities, highlighted inhibited biofilm formation, induced lethality Leishmania amazonensis promastigotes (50%), and possess an insecticidal activity at 100 µg/ml. A molecular docking study was performed against S. aureus gyrase, S. aureus tyrosyl-tRNA synthetase, human peroxiredoxin 5, cyclooxygenase-2, and trypanothione reductase and confirmed that the activities are mainly due to coumarin, epicatechin, juglone, epicatechin, and epicatechin presence, respectively. The stability of these complexes is essentially related to the strong hydrogen bonds formed between the most active compounds and the binding site amino acids. The identified compounds were found to pass the absorption, distribution, metabolism, and excretion property as well as five Lipinski’s rules with good drug-likeness and pharmacokinetic behavior.
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DOI: 10.1080/10942912.2023.2200561
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