Artocarpus altilis extracts as a food-borne pathogen and oxidation inhibitors: RSM, COSMO RS, and molecular docking approaches

• Published in: Scientific reports 2020-06, Vol.10 (1), p.9566, Article 9566
• Main Authors: Ahmad, Mohammad Norazmi, Karim, Nazatul Umira, Normaya, Erna, Mat Piah, Bijarimi, Iqbal, Anwar, Ku Bulat, Ku Halim
• Format: Article
• Language: English
• Subjects: 101/58; 119/118; 13/106; 631/92/349; 639/638/224/899; Anti-Bacterial Agents - isolation & purification; Anti-Bacterial Agents - pharmacology; Antioxidants; Antioxidants - isolation & purification; Antioxidants - pharmacology; Artocarpus - chemistry; Artocarpus altilis; Ascorbic acid; Bacillus cereus - drug effects; Bacteria; Bioactive compounds; Biological properties; Disk Diffusion Antimicrobial Tests; E coli; Electrostatic properties; Escherichia coli - drug effects; Food; Food additives; Food contamination; Food Microbiology; Food spoilage; Free Radical Scavengers - pharmacology; Gas chromatography; Gas Chromatography-Mass Spectrometry; Humanities and Social Sciences; Hydroxyl radicals; Lipid peroxidation; Lipid Peroxidation - drug effects; Mass spectrometry; Mass spectroscopy; Microbial contamination; Molecular Docking Simulation; Molecular Structure; multidisciplinary; Oxidation; Oxidation-Reduction; Plant Extracts - chemistry; Plant Extracts - isolation & purification; Plant Extracts - pharmacology; Plant Leaves - chemistry; Science; Science (multidisciplinary); Solvents
• ISSN: 2045-2322; 2045-2322
• DOI: 10.1038/s41598-020-66488-7

Lipid oxidation and microbial contamination are the major factors contributing to food deterioration. Food additives like antioxidants and antibacterials can prevent food spoilage by delaying oxidation and preventing the growth of bacteria. Artocarpus altilis leaves exhibited biological properties that suggested its use as a new source of natural antioxidant and antimicrobial. Supercritical fluid extraction (SFE) was used to optimize the extraction of bioactive compounds from the leaves using response surface methodology (yield and antioxidant activity). The optimum SFE conditions were 50.5 °C temperature, 3784 psi pressure and 52 min extraction time. Verification test results (Tukey’s test) showed that no significant difference between the expected and experimental DPPH activity and yield value (99%) were found. Gas-chromatography –mass spectrometry (GC-MS) analysis revealed three major bioactive compounds existed in A. altilis extract. The extract demonstrated antioxidant and antibacterial properties with 2,3-diphenyl-1-picrylhydrazyl (DPPH) scavenging activity, ferric reducing ability of plasma (FRAP), hydroxyl radical scavenging activity, tyrosinase mushrrom inhibition of 41.5%, 8.15 ± 1.31 (µg of ascorbic acid equivalents), 32%, 37% and inhibition zone diameter of 0.766 ± 0.06 cm (B. cereus) and 1.27 ± 0.12 cm ( E. coli ). Conductor like screening model for real solvents (COSMO RS) was performed to explain the extraction mechanism of the major bioactive compounds during SFE. Molecular electrostatic potential (MEP) shows the probability site of nucleophilic and electrophilic attack during bacterial inhibition. Based on molecular docking study, non-covalent interactions are the main interaction occurring between the major bioactive compounds and bacteria (antibacterial inhibition).