Abstract
The current study explores the methanolic extracts of the leaves and fruit of Aegle marmelos (Bael) for their total phenolic content (TPC), total flavonoids content (TFC), antioxidants, and antibiofilms, as well as its in ovo antiviral potential against Newcastle disease virus (NDV). The drug-likeliness thereof and the potential identification of an interaction—their molecular docking of ligands with target proteins by GOLD—was determined in silico using the Swiss ADME software. The total flavonoids content (TFC) was 135.17 ± 2.02 and 111.2 ± 3.67 mg QE/g, while the total phenolics content (TPC) was 185.02 ± 2.15 and 171.13 ± 6.73 mg GAE/g, in the fruit and leaves extracts, respectively. In a DPPH assay, the IC50 value for the methanolic extracts of leaves and fruit was 63.52 ± 1.48 and 52.06 ± 1.62. μg/mL d.w. The fruit extract of A. marmelos showed significantly higher reducing power (i.e., 59.32 ± 0.05 µmol/g d.w) than the leaves extract (p < 0.05). The biofilm-inhibition activity of the fruit extract of A. marmelos was 65.78 ± 0.65 µg/mL. Both parts of the plant showed potent antiviral potential at higher concentrations. A study in silico, using the molecular docking of three compounds, showed good interaction with the HN protein, with considerable binding affinities and fulfilled docking parameters. This work shows that Aegle marmelos and its phytoconstituents can be used as a potential remedy for NDV.
Highlights
Time for embryo death: We evaluated the antiviral efficacy of the A. marmelos extracts using an in ovo technique against Newcastle disease virus (NDV) in the embryonated eggs of chickens
GOLD version 5.3.0 and BIOVIA Discovery studio visualizer http://www.3dsbiovia.com, accessed on 15 July 2021 [59]. It is clear from the above study that the methanolic extracts of A. marmelos leaves and fruit contain a variety of phytoconstituents that justify their applications for specific therapeutic impetus such as free radical scavenging, reducing power, antibiofilm potential, and antiviral efficacy against NDV
The 20 compounds from A. marmelos are proven as potential drug molecules in terms of their pharmacokinetic and drug likeness
Summary
Newcastle Disease (ND) is a severe avian disease caused by a poultry-effecting RNA virus, Newcastle disease virus (NDV) [1]. NDV is encoded by six major glycoproteins, from which two transmembrane proteins, hemagglutinin-neuraminidase (HN) and fusion F, are eligible for the binding and fusion of the virus with the host cell by conformational alteration [2]. Of the currently available vaccines, only a few are proven to be efficient [5]. Vaccination can preclude clinical symptoms, but replication and virus shedding cannot be stopped, the urgency in finding antivirals and new corresponding practices that are healthy, reliable, have fewer side effects and are not overwhelmed by resistance [6,7]
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