In Vitro and in Silico Analysis of Phytochemicals from Asteraceae Plant Species Against Wound-Infecting Pathogens

Abstract

The idea of polyherbal combinations has a strong foundation in modern medicine and has had amazing success, givingpatients new hope. Polyherbal mixtures have managed various conditions, from cancer to autoimmune disorders. Given that it hasalready been shown to be secure and efficient, this therapeutic approach is gaining popularity. In alternative, complementarytherapies, polyherbal formulations blend many herbs to provide an additive effect. Physicians are accepting this strategy, which hasbeen used for generations. Numerous research papers in the pharmaceutical field demonstrate the efficacy of combining plants andthe present study aimed to evaluate antibacterial phytochemicals from a polyherbal extract. Phytoconstituents extracted with ethanoland ethyl acetate by conventional soxhlet method and chemical constituents were analyzed by qualitative and GC-MS. Antibacterialactivity of extracts tested by disc diffusion method against wound infecting pathogens. MIC was done by Alamar blue assay. Inhibitionof ESBL enzyme predicted by in silico docking using Autodock. Extraction with ethanol shows less significant positive results thanethylacetate in qualitative and antibacterial studies. GC-MS analysis showed the presence of 35 bioactive compounds from ethylacetate and 45 compounds from ethanol. Cyclononasiloxane, Octodecane, hexadecanoic acid, and Benzenedicarboxylic werecommonly found in both extracts. The ethylacetate PHE exhibited strong antibacterial activity and was more effective than thestandard. From GCMS, three compounds were predicted to have good ADME characteristics with high gastrointestinal absorptionand metabolic activity. Compound 6-(3-fluorobenzylamino) purine has been selected and investigated by in silico method, showingthat it has a greater binding affinity with ESBL, ompC, and murA after being docked. The ethyl acetate extract demonstrated goodaction against certain pathogenic bacteria in the current experiment, while the ethanol extract exhibited no activity. Our findingsconclude that the polyherbal extracts have broad-spectrum activity against bacteria and depend on the solvent used.