Phytochemical Profiling, In Vitro Biological Activities, and In-Silico Studies of Ficus vasta Forssk.: An Unexplored Plant

Abstract

Ficus vasta Forssk. (Moraceae family) is an important medicinal plant that has not been previously investigated for its phytochemical and biological potential. Phytochemical screening, total bioactive content, and GCMS analysis were used to determine its phytoconstituents profile. Antioxidant, antibacterial, antifungal, anti-viral, cytotoxicity, thrombolytic, and enzyme inhibition activities were examined for biological evaluation. The plant extract exhibited the maximum total phenolic (89.47 ± 3.21 mg GAE/g) and total flavonoid contents (129.2 ± 4.14 mg QE/g), which may be related to the higher antioxidant potential of the extract. The extract showed strong α-amylase (IC50 5 ± 0.21 µg/mL) and α-glucosidase inhibition activity (IC50 5 ± 0.32 µg/mL). Significant results were observed in the case of antibacterial, antifungal, and anti-viral activities. The F. vasta extract inhibited the growth of HepG2 cells in a dose-dependent manner. The GCMS analysis of the extract provided the preliminary identification of 28 phytocompounds. In addition, the compounds identified by GCMS were subjected to in silico molecular docking analysis in order to identify any interactions between the compounds and enzymes (α-amylase and α-glucosidase). After that, the best-docked compounds were subjected to ADMET studies which provide information on pharmacokinetics, drug-likeness, physicochemical properties, and toxicity. The present study highlighted that the ethanol extract of F. vasta has antidiabetic, antimicrobial, anti-viral, and anti-cancer potentials that can be further explored for novel drug development.

Metabolic Profiling by GC-MS, In Vitro Biological Potential, and In Silico Molecular Docking Studies of Verbena officinalis

“…Oxidation processes are essential to provide the energy to support biological activity in living organisms. As a result, the uncontrolled production of oxygen reactive species (ROS) is associated with many chronic diseases, including cancer, atherosclerosis, rheumatoid disease, and degenerative processes linked with aging [ 51 ]. Synthetic as well as semi-synthetic antioxidants are frequently employed to reduce ROS damage, however, they have also been linked to cancers and damage to cells or entire organs (such as the liver) [ 51 ].…”

“…As a result, the uncontrolled production of oxygen reactive species (ROS) is associated with many chronic diseases, including cancer, atherosclerosis, rheumatoid disease, and degenerative processes linked with aging [ 51 ]. Synthetic as well as semi-synthetic antioxidants are frequently employed to reduce ROS damage, however, they have also been linked to cancers and damage to cells or entire organs (such as the liver) [ 51 ]. As a result, there is a substantial need for natural and functional antioxidants that can lower ROS overproduction and stop the progression of many chronic diseases.…”

Headspace Solid Phase Micro-Extraction of Volatile Constituents Produced from Saudi Ruta chalepensis and Molecular Docking Study of Potential Antioxidant Activity

“…The docking studies were validated by superimposing the co-crystallized ligand (Ascorbic acid) with extracted ascorbic acid from the crystal structure and redocking it to the crystal structures of NADPH Oxidase. The Ligplot software was used to visualize 2D structures of ligand–protein interactions [ 26 ].…”

Hecogenin a Plant Derived Small Molecule as an Antagonist to BACE-1: A Potential Target for Neurodegenerative Disorders

“…Docking was carried out using the AutoDock tool site-specific docking was carried out using a grid box created at specific dimensions. Based on the binding affinity, the best-docked pose of a ligand and the protein was selected and visualized using Discovery Studio in 2D analysis to determine the interacting residues with different bonds [ 18 ].…”