Assessment of Trachyspermum ammi essential oil against Aspergillus flavus, aflatoxin B1 contamination, and post-harvest quality of Sorghum bicolor.

The present investigation explored the antifungal effectiveness of Trachyspermum ammi essential oil (TAEO) against Aspergillus flavus, aflatoxin B1 (AFB1) contamination, and its mechanism of action using biochemical and computational approaches. The GC-MS result revealed the chemical diversity of TAEO with the highest percentage of γ-terpinene (39 %). The TAEO exhibited minimum inhibitory concentration against A. flavus growth (0.5 µL/mL) and AFB1 (0.4 µL/mL) with radical scavenging activity (IC50 = 2.13 µL/mL). The mechanism of action of TAEO was associated with the alteration in plasma membrane functioning, antioxidative defense, and carbon source catabolism. The molecular dynamic result shows the multi-regime binding of γ-terpinene with the target proteins (Nor1, Omt1, and Vbs) of AFB1 biosynthesis. Furthermore, TAEO exhibited remarkable in-situ protection of Sorghum bicolor seed samples against A. flavus and AFB1 contamination and protected the nutritional deterioration. Hence, the study recommends TAEO as a natural antifungal agent for food protection against A. flavus mediated biodeterioration.

Essential oils as green promising alternatives to chemical preservatives for agri-food products: New insight into molecular mechanism, toxicity assessment, and safety profile.

Microbial food spoilage caused by food-borne bacteria, molds, and associated toxic chemicals significantly alters the nutritional quality of food products and makes them unpalatable to the consumer. In view of potential adverse effects (resistance development, residual toxicity, and negative effects on consumer health) of some of the currently used preservative agents and consumer preferences towards safe, minimally processed, and chemical-free products, food industries are looking for natural alternatives to the chemical preservatives. In this context, essential oils (EOs) showed broad-range antimicrobial effectiveness, low toxicity, and diverse mechanisms of action, and could be considered promising natural plant-based antimicrobials. The existing technical barriers related to the screening of plants, extraction methods, characterization, dose optimization, and unpredicted mechanism of toxicity in the food system, could be overcome using recent scientific and technological advancements, especially bioinformatics, nanotechnology, and mathematical approaches. The review focused on the potential antimicrobial efficacy of EOs against food-borne microbes and the role of recent scientific technology and social networking platform in addressing the major obstacles with EOs-based antimicrobial agents. In addition, a detailed mechanistic understanding of the antimicrobial efficacy of EOs, safety profile, and risk assessment using bioinformatics approaches are summarized to explore their potential application as food preservatives.

Insights into the antimicrobial efficacy of Coleus aromaticus essential oil against food-borne microbes: Biochemical and molecular simulation approaches.

The study reported the antimicrobial efficacy of chemically characterized Coleus aromaticus essential oil (CEO) against food-borne bacteria, molds (Aspergillus flavus), aflatoxin B1 (AFB1) and explored its mechanism of action using biochemical and molecular simulation approaches. The chemical profile of CEO was explored by Gas chromatography-mass spectrometry (GC-MS) analysis, which revealed thymol (46.0%) as the major compound. The minimum inhibitory concentration values of CEO for bacterial species Escherichia coli, Salmonella enterica, Bacillus cereus, and Shigella flexneri was found to be 0.9 µl/ml, 0.7 µl/ml, 0.16 µl/ml, and 0.12 µl/ml respectively. The MIC value for A. flavus and AFB1 contamination was 0.6 µl/ml. The DPPH radical scavenging activity of CEO was recorded with IC50 0.32 µl/ml. Biochemical and computational approaches (docking and dynamics simulation) have been performed to explore the multi-faceted antimicrobial inhibitory effects of CEO at the molecular level, which shows the impairment in membrane functioning, leakage of cellular contents, release of 260-nm absorbing materials, antioxidative defense, carbon catabolism and vital genes (7AP3, Nor1, Omt1, and Vbs). The findings indicated that CEO could be used as natural antimicrobial agents against food-spoilage bacteria, A. flavus and AFB1 contamination to extend the shelf-life of food product and prevention of food-borne diseases.

Synthesis, characterization, and assessment of chitosan-nanomatrix enriched with antifungal formulation against biodeterioration of active ingredients of selected herbal raw materials.

Aflatoxin B1 (AFB1), a potent natural group 1 carcinogen produced by Aspergillus flavus is considered an unavoidable toxic contaminant of herbal raw materials, which often deteriorates their active ingredients making them less effective and hazardous during their formulation in herbal drugs. The present investigation reports the antifungal (0.5 µl/ml) and AFB1 inhibitory (0.4 µl/ml) effects of the developed formulation CIM based on a mixture of essential oils (Carum carvi, and Illicium verum), and methyl anthranilate using mathematical modeling. The insight into the mechanism of action has also been explored using biochemical, molecular docking, and RT-PCR. Further, the nanoencapsulation of CIM (Ne-CIM) was prepared using a green facile synthesis of chitosan-based nanomatrix and characterized by Dynamic light scattering (DLS), Fourier transform-infrared, (FTIR), and X-ray diffraction analysis (XRD). The in-situ results showed that at MIC doses Ne-CIM effectively controls the A. flavus (81.25-89.57 %), AFB1 contamination (100 %), and protects the active ingredients deterioration of Piper nigrum, P. longum, Andrographis paniculata, Silybum marianum, and Withania somnifera caused by toxigenic species of A. flavus without affecting their sensory properties. Hence, Ne-CIM could be used as a green chemical agent to protect the biodeterioration of active ingredients of herbal raw materials caused by toxigenic species of A. flavus.

Recent advancement in functional properties and toxicity assessment of plant-derived bioactive peptides using bioinformatic approaches.

Nowadays, biopeptides have gained considerable interest by the food industries, given their potent biological effect on health. BPs, when released from the sequence of their precursors by proteolytic enzymes, improved the various physiological functions of the body. Diabetic and hypertension are the two most common life-threatening diseases linked to dietary patterns. Angiotensin-converting enzyme (ACE) (hypertension-responsible glycoprotein) and dipeptidyl peptidase IV (DPP-IV) (proline-specific dimeric aminopeptidase) have been widely used as molecular target sites of action of bioactive compounds possessing antihypertensive and antidiabetic effects. Although, BPs possess considerable biological properties (antioxidant, antimicrobial, antiviral, immunomodulating, antiproliferative, antidiabetic, and antihypertensive effects), most of them possess inherent lacunae such as toxicity, allergenicity, bitterness, and lack of detailed mechanistic investigation, limiting their commercial application. The present review provides an overview on various sources of bioactive peptides, conventional and modern methods of extraction, and challenges that need to be addressed before its commercial application. In addition, bioinformatics' role in exploring the functional properties of biopeptides (ACE and DPP-IV inhibitory effects) toxicity, the target site of action with special reference to plant-based peptides, and recent burgeoning proficiencies in biopeptide research have been discussed.

Nanoencapsulated plant-based antifungal formulation against the Aspergillus flavus and aflatoxin B1 contamination: Unraveling the biochemical and molecular mechanism of action.

Aflatoxin B1 (AFB1) is one of the most toxic fungal secondary metabolites associated with Aspergillus flavus contaminated food products. Although a range of synthetic chemicals has been used to control molds contamination, most of them possess a risk to the health and environment. The study reports the efficacy of nanoencapsulated plant-based synergistic antifungal formulation (Ne-CGT) as a green chemical agent against Aspergillus flavus and AFB1 contamination. The antifungal formulation (CGT) was prepared using the mathematical model based on different proportions of plant compounds (citral (C), geraniol (G), and terpineol (T)) and encapsulated inside the chitosan. Ne-CGT exhibited enhanced antifungal and AFB1 activity (0.15 µl/ml) compared to its free form CGT (0.3 µl/ml). Toxicity mechanism was related with impairment in functioning in the cell membrane (ergosterol and ion leakage), biochemical perturbance (mitochondrial membrane potential, enzyme activity Superoxide dismutase (SOD), Catalase (CAT), Glutathione reductase (GR), and carbon source metabolism), and functioning of aflatoxin biosynthesis gene Ver-1 and Nor-1. In addition, Ne-CGT effectively preserves the nutrition properties (lipid peroxidation, total carbohydrate, and crude protein) of Sorghum bicolor seed. The quantitative structure-activity relationship (QSAR) approach revealed the favorable safety profile and ecological acceptability of Ne-CGT. Hence, the study recommends its application as a plant-based antifungal agent to manage the growth of fungal and AFB1 contamination in agricultural food products.

Assessing the efficacy of chitosan nanomatrix incorporated with Cymbopogon citratus (DC.) Stapf essential oil against the food-borne molds and aflatoxin B1 production in food system.

The chitosan nanomatrix incorporated with Cymbopogon citratus essential oil (Ne-CcEO) possess enhanced efficacy against the food-borne molds and aflatoxin B1 production compared to free essential oil. The CcEO was encapsulated inside the chitosan nanomatrix with an average size 147.41 ± 16.18 nm and characterized by Scanning electron microscopy, Fourier transforms infrared spectroscopy, and X-ray diffraction assay. The encapsulation efficiency and loading capacity were ranged between (41.68-76.78%) and (5.3-8.80%). The biochemical and in-silico analysis results revealed the interference in functioning of membrane integrity, mitochondrial membrane potential, antioxidant defense, carbon source metabolism, methylglyoxal, and laeA gene in response to treatment of Ne-CcEO (0.5 µl/ml). In addition, Ne-CcEO significantly protects the deterioration of Pennisetum glaucum (L.) R. Br. seed samples by A. flavus, aflatoxin B1 contamination, and lipid peroxidation. The Ne-CcEO could be considered as promising antifungal additives for the control of food-borne molds and aflatoxin B1 contamination in the food system.

Potential Anti-Mycobacterium tuberculosis Activity of Plant Secondary Metabolites: Insight with Molecular Docking Interactions.

Tuberculosis (TB) is a recurrent and progressive disease, with high mortality rates worldwide. The drug-resistance phenomenon of Mycobacterium tuberculosis is a major obstruction of allelopathy treatment. An adverse side effect of allelopathic treatment is that it causes serious health complications. The search for suitable alternatives of conventional regimens is needed, i.e., by considering medicinal plant secondary metabolites to explore anti-TB drugs, targeting the action site of M. tuberculosis. Nowadays, plant-derived secondary metabolites are widely known for their beneficial uses, i.e., as antioxidants, antimicrobial agents, and in the treatment of a wide range of chronic human diseases (e.g., tuberculosis), and are known to "thwart" disease virulence. In this regard, in silico studies can reveal the inhibitory potential of plant-derived secondary metabolites against Mycobacterium at the very early stage of infection. Computational approaches based on different algorithms could play a significant role in screening plant metabolites against disease virulence of tuberculosis for drug designing.

Microbial Biosurfactant: A New Frontier for Sustainable Agriculture and Pharmaceutical Industries.

In the current scenario of changing climatic conditions and the rising global population, there is an urgent need to explore novel, efficient, and economical natural products for the benefit of humankind. Biosurfactants are one of the latest explored microbial synthesized biomolecules that have been used in numerous fields, including agriculture, pharmaceuticals, cosmetics, food processing, and environment-cleaning industries, as a source of raw materials, for the lubrication, wetting, foaming, emulsions formulations, and as stabilizing dispersions. The amphiphilic nature of biosurfactants have shown to be a great advantage, distributing themselves into two immiscible surfaces by reducing the interfacial surface tension and increasing the solubility of hydrophobic compounds. Furthermore, their eco-friendly nature, low or even no toxic nature, durability at higher temperatures, and ability to withstand a wide range of pH fluctuations make microbial surfactants preferable compared to their chemical counterparts. Additionally, biosurfactants can obviate the oxidation flow by eliciting antioxidant properties, antimicrobial and anticancer activities, and drug delivery systems, further broadening their applicability in the food and pharmaceutical industries. Nowadays, biosurfactants have been broadly utilized to improve the soil quality by improving the concentration of trace elements and have either been mixed with pesticides or applied singly on the plant surfaces for plant disease management. In the present review, we summarize the latest research on microbial synthesized biosurfactant compounds, the limiting factors of biosurfactant production, their application in improving soil quality and plant disease management, and their use as antioxidant or antimicrobial compounds in the pharmaceutical industries.

Pesticidal efficacy, mode of action and safety limits profile of essential oils based nanoformulation against Callosobruchus chinensis and Aspergillus flavus.

The study explores the pesticidal efficacy, mode of action, and safety limit profile of essential oils-based formulation using the combination of Myristica fragrans (M), Bunium persicum (B), and Zanthoxylum alatum (Z) (1:1:1 v/v/v) and their nanoformulation (Ne-MBZ) against the Callosobruchus chinensis, Aspergillus flavus and aflatoxin B1 production. Linalool, γ-terpinene, and cuminaldehyde were identified as the major compounds of the formulation (MBZ) by Gas chromatography-mass spectrometry (GC-MS). Nanoencapsulation of developed formulation (Ne-MBZ) was prepared using chitosan and characterized by scanning electron microscopy (SEM), X-ray diffraction analysis (XRD), and Fourier transform infrared spectroscopy (FTIR). The pesticidal efficacy of nanoformulation (Ne-MBZ) against C. chinensis IC50 (0.14 µl/ml), A. flavus (0.8 µl/ml) and AFB1 (0.8 µl/ml) was significantly higher in both in-vitro and in-situ conditions than the sum of their individual revealing a notable synergistic effect. Besides, the detailed mode of pesticidal action and safety limit profile were explored using biochemical, in-silico and ADMET (absorption, distribution, metabolism, excretion, and toxicity) approaches.

Untangling the multi-regime molecular mechanism of verbenol-chemotype Zingiber officinale essential oil against Aspergillus flavus and aflatoxin B1.

Aflatoxin B1 (AFB1), the natural polyketide produced by Aspergillus flavus, has a potent carcinogenic effect on humans as well as animals. In the present study, the antifungal and anti-aflatoxigenic B1 activity of chemically characterized Zingiber officinale essential oil (ZOEO) was investigated via in vitro analysis aided with molecular dynamics (MD) approaches. The GC-MS results revealed verbenol (52.41%) as the major component of oil. The antifungal and anti-aflatoxigenic activity of ZOEO was found to be 0.6 µl/ml and 0.5 µl/ml respectively. In-vitro analysis targeting the cell membrane, mitochondria and carbohydrate catabolism elucidated the probable antifungal mode of action. Further, docking and MD simulation results confirmed the inhibitory action of verbenol on the structural gene products (Nor-1, Omt-1, and Vbs) of aflatoxin biosynthetic machinery. Biochemical assays revealed the fungitoxic potential of the ZOEO while, computational results infers the stabilizing effects on the gene products upon verbenol binding leads to the impairment in its functionality. This is the first attempt to assess the multi-regime anti-AFB1 mechanism of verbenol chemotype-ZOEO targeting the Nor-1, Omt-1, and Vbs via computational approaches.

Fabrication of volatile compounds loaded-chitosan biopolymer nanoparticles: Optimization, characterization and assessment against Aspergillus flavus and aflatoxin B1 contamination.

The study demonstrates the use of chitosan as a carrier agent of designed antifungal formulation (CME 4:1:1) based on a combination of plant compounds such as trans- cinnamaldehyde (C), methyl eugenol (M), and estragole (E). The formulation was encapsulated inside the chitosan biopolymer nanomatrix (Ne-CME) and characterized by SEM, FTIR, and XRD. The Ne-CME exhibited enhanced antifungal and aflatoxin B1 inhibitory effect compared to the individual compounds and unencapsulated form. Ne-CME (0.04 µl/ml) caused significant protection of Piper longum fruit from fungal (90.05%) and aflatoxin B1 (100%) contamination and had no significant negative effects on its nutritional properties. In addition, the probable antifungal mechanism of Ne-CME was investigated using in-silico (effect on Omt-1 and Vbs structural genes of AFB1 biosynthesis) and biochemical (perturbances in the cell membrane, carbohydrate catabolism, methyl-glyoxal, mitochondrial membrane potential, and antioxidant defense system) assay.

Elucidation of antifungal toxicity of Callistemon lanceolatus essential oil encapsulated in chitosan nanogel against Aspergillus flavus using biochemical and in-silico approaches.

The antifungal and aflatoxin B1 (AFB1) inhibitory effect of chemically characterised Callistemon lanceolatus essential oil (CLEO), chitosan nanoparticles, and CLEO loaded chitosan nanoparticles (CLEO-ChNPs) were investigated. Scanning electron microscope observation exhibited the spherical shape of prepared CLEO-ChNPs with an average range of 20-70 nm. An in-vitro release study revealed the controlled volatilisation of CLEO from CLEO-ChNPs. The CLEO-ChNPs caused complete inhibition of growth (4.5 µl/ml) and AFB1 (4.0 µl/ml) production by A. flavus at a low dose compared to free CLEO (5.0 µl/ml). The antifungal and AFB1 inhibitory toxicity of CLEO-ChNPs were elucidated using biochemical (effect on ergosterol biosynthesis, membrane cations, mitochondrial membrane potential, C-sources utilisation and cellular methylglyoxal level) and in-silico (interaction with the gene product Erg 28, Cytochrome c oxidase subunit Va, Omt-A, Ver-1, and Nor-1) approaches.

Assessing the antifungal and aflatoxin B1 inhibitory efficacy of nanoencapsulated antifungal formulation based on combination of Ocimum spp. essential oils.

The aim of the study was to explore the antifungal and aflatoxin B1 inhibitory efficacy of nanoencapsulated antifungal formulation. Mixture design response surface methodology (RSM) was utilized to design the antifungal formulation (SBC 4:1:1) based on the combination of chemically characterized Ocimum sanctum (S), O. basilicum (B), and O. canum (C) against Aspergillus flavus. The SBC was incorporated inside the chitosan nanomatrix (Ne-SBC) using an ultrasonic probe (40 kHz) and interactions were confirmed by SEM, FTIR and XRD analysis. The results showed that the Ne-SBC possessed enhanced antifungal and aflatoxin B1 inhibitory effect over the free form of SBC. The biochemical and in silico results indicate that the antifungal and aflatoxin B1 inhibitory effect was related to perturbance in the plasma membrane function (ergosterol biosynthesis and membrane cation) mitochondrial membrane potential, C-sources utilization, antioxidant defense system, and the targeted gene products Erg 28, cytochrome c oxidase subunit Va, and Nor-1. In-situ observation revealed that Ne-SBC effectively protects the Avena sativa seeds from A. flavus and AFB1 contamination and preserves its sensory profile. The findings suggest that the fabrication of SBC inside the chitosan nano-matrix has promising use in the food industries as an antifungal agent.

Encapsulation of Bunium persicum essential oil using chitosan nanopolymer: Preparation, characterization, antifungal assessment, and thermal stability.

The present study reports the antifungal, aflatoxin B1 inhibitory, and free radical scavenging activity of chitosan-based nanoencapsulatedBunium persicum Boiss. essential oil (Ne-BPEO). The chemical profile ofBPEO was identified through Gas chromatography mass spectrometry analysis where cuminaldehyde (21.23%), sabinene (14.66%), and γ-terpinen (12.49%) were identified as the major compounds. Ne-BPEO was prepared using chitosan and characterised by Scanning electron microscope (SEM), Atomic force microscope (AFM), Fourier-transform infrared spectroscopy (FTIR), and X-ray diffraction (XRD) assay. Ne-BPEO completely inhibited the growth and aflatoxin B1 production at a concentration of 0.3 µL/mL. The antifungal and aflatoxin B1 inhibitory effects were related to decreasing in ergosterol content, leakage of membrane ions (Ca2+, K+, and Mg2+), impairment in carbohydrate catabolism, and functioning of ver-1 gene of A. flavus exposed to Ne-BPEO over the control. In addition, Ne-BPEO exhibited promising free radical scavenging activity through DPPH assay (IC50 12.64 µL/mL) with high thermo-stability. Therefore, chitosan could be used as a carrier agent of plant-based preservative to enhance the shelf-life of food products against A. flavus and aflatoxin B1 contamination.

Nanoencapsulated methyl salicylate as a biorational alternative of synthetic antifungal and aflatoxin B1 suppressive agents.

In view of the suspected negative impact of synthetic fungicides to the human health, nutritional quality, and non-targeted organisms, the use of plant-based antifungal agents has gained considerable interest to the agri-food industries. The aim of this study was to explore the antifungal and aflatoxin B1 (AFB1) inhibitory activity of chitosan (low molecular weight) encapsulated methyl salicylate. The nanoencapsulation of methyl salicylate (Ne-MS) has been characterized by SEM, FTIR, and XRD analysis. The encapsulation efficiency and loading capacity of Ne-MS ranged between 32-34% and 5-7% respectively. The minimum inhibitory concentration of Ne-MS (1.00 µL/mL) against the growth and aflatoxin B1 production by Aspergillus flavus was found to be lower than the free MS (1.50 µL/mL). Mode of action studies demonstrated that the Ne-MS cause a significant decrease in the ergosterol content, leakage of vital ions (Ca2+, Mg2+, and K+), utilization of different carbon source by the A. flavus. Further, the docking result showed ver1 and omt A gene of AFB1 biosynthesis are the possible molecular site of action of methyl salicylate. The in situ study revealed that Ne-MS had no significant negative impact on the organoleptic properties of the food system (maize) which strengthen its potential as a biorational alternative of synthetic fungicides.

Nanoencapsulated plant-based bioactive formulation against food-borne molds and aflatoxin B1 contamination: Preparation, characterization and stability evaluation in the food system.

A novel synergistic formulation (TML) based on the combination of thymol (T), methyl cinnamate (M), and linalool (L) has been prepared using the mixture design assay. Nanoencapsulation of developed formulation TML (Ne-TML) was prepared and characterised by SEM, XRD and FTIR. The Ne-TML was assessed for its antifungal and anti-aflatoxin B1 potential in vitro and in the food systems (Pennisetum glaucum L.), and also examined its effects on organoleptic properties. The Ne-TML cause complete inhibition of growth and AFB1 production at 0.3 µl/ml and 0.2 µl/ml. In-situ results revealed that Ne-TML exhibited maximum protection from fungal (75.40%) and aflatoxin B1 contamination (100%) at 0.3 µl/ml during six months of storage. The speculated antifungal mode of action of Ne-TML was related to the decrease in ergosterol content, membrane ions leakage, impairment in carbon-source utilization, mitochondrial functioning, anti-oxidative defence system (SOD, CAT, and GR) and Ver-1 gene of aflatoxin B1 biosynthesis.

Distribution of cyanobacteria and their interactions with pesticides in paddy field: A comprehensive review.

Cyanobacteria, also known as blue green algae are one of the important ubiquitous oxygen evolving photosynthetic prokaryotes and ultimate source of nitrogen for paddy fields since decades. In past two decades, indiscriminated use of pesticides led to biomagnification that intensively harm the structure and soil functions of soil microbes including cyanobacteria. Cyanobacterial abundance biomass, short generation, water holding capacity, mineralizing capacity and more importantly nitrogen fixing have enormous potential to abate the negative effects of pesticides. Therefore, investigation of the ecotoxicological effects of pesticides on the structure and function of the tropical paddy field associated cyanobacteria is urgent and need to estimate the fate of interaction of pesticides over nitrogen fixations and other attributes. In this regard, comprehensive survey over cyanobacterial distribution patterns and their interaction with pesticides in Indian context has been deeply reviewed. In addition, the present paper also deals the molecular docking pattern of pesticides with the nitrogen fixing proteins, which helps in revealing the functional interpretation over nitrogen fixation process.

Biotechnological aspects of plants metabolites in the treatment of ulcer: A new prospective.

Ulcer is one of the most common diseases affecting throughout the world population. The allopathic treatment of ulcer adversely affects the health by causing harmful side effects. Currently, many herbal plants and secondary metabolites have been used for the ulcer treatment. In the present review, many herbal plants and their parts (root, rhizome, bark, leaves and fruits) have been listed in the table are currently being used for ulcer treatment. These metabolites are responsible for ulcer-neutralization or anti-inflammatory properties. In silico study, plant metabolites showed interaction between protodioscin (secondary metabolites of Asparagus racemosus) and interferon-γ (virulent factor of gastric ulcer) during molecular docking. All the residues of interferon-γ exhibited hydrophobic interactions with plant metabolites. These interactions helps in understanding the plant secondary metabolites vis a vis will open a new door in the research field of new drug discovery and designing for the ulcer treatment.