Browsing by Author "Jaiswal, Atul Kumar"

Now showing 1 - 4 of 4
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    Bioinformatics approaches: elucidation of novel sites of action, toxicity prediction tool, and perception of bioactive compounds
    (Elsevier, 2023) Jaiswal, Atul Kumar; Prakash, Bhanu
    Bioactive compounds are found in trace amounts in food and plants such as fruits, vegetables, nuts, and oils. Many of these bioactive compounds are beneficial for human health and have been studied extensively in the past. To study the bioactive compounds bioinformatics resources are of paramount importance as they save time and money as compared to wet lab-based studies. Some of the popular bioinformatics approaches used in such studies are pharmacophore design, toxicity prediction tools, docking, and molecular dynamics simulation. In the present chapter an overview of these bioinformatics methods and tools has been provided along with their applications. � 2023 Elsevier Inc. All rights reserved.
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    Insights into the antimicrobial efficacy of Coleus aromaticus essential oil against food-borne microbes: Biochemical and molecular simulation approaches
    (Elsevier Ltd, 2023) Singh, Prem Pratap; Jaiswal, Atul Kumar; Raghuvanshi, Tanya Singh; Prakash, Bhanu
    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 ?l/ml, 0.7 ?l/ml, 0.16 ?l/ml, and 0.12 ?l/ml respectively. The MIC value for A. flavus and AFB1 contamination was 0.6 ?l/ml. The DPPH radical scavenging activity of CEO was recorded with IC50 0.32 ?l/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. � 2023
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    Prospects of Bioinformatics and Data Acquirement Tools in Boosting the Application of Phytochemicals in Food Sciences
    (Springer Nature, 2023) Jaiswal, Atul Kumar; Singh, Prem Pratap; Prakash, Bhanu
    Bioinformatics has been established as a multidisciplinary research area bringing about a paradigm shift in the discipline of biological researches. In silico resources made biologists to treat the huge and heterogeneous amount of bio-digital data in rapid mode to predict models for real-life applications. Its application in the biomedical field has been well explored; however, the significance of computational studies has remained underappreciated in food and nutritional sciences, despite their data-rich attributes. In the present study, a broader framework of bioinformatics in food sciences was discussed, especially plant-based databases, third-generation sequencing, genome assembly, and annotation. In addition, its role in the elucidation of the probable mechanism of action against foodborne microbes, recent advances, associated challenges, and future perspectives have also been discussed. � The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2024.
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    Untangling the multi-regime molecular mechanism of verbenol-chemotype Zingiber officinale essential oil against Aspergillus flavus and aflatoxin B1
    (Nature Research, 2021) Singh, Prem Pratap; Jaiswal, Atul Kumar; Kumar, Akshay; Gupta, Vishal; Prakash, Bhanu
    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��l/ml and 0.5��l/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. � 2021, The Author(s).