Molecular docking studies of phytocompounds of Coccinia grandis to inhibit antimicrobial-resistant pathogens of head and neck infection
Abstract
: Multidrug resistance is becoming a global concern as the new generations of antimicrobials are showing resistance to pathogens. Therefore, alternative treatment of multidrug resistance with natural products is very much necessary to combat this worldwide problem. This study involved the in-silico approach of finding the antimicrobial potent phytocompounds of the plant against the multidrug-resistant pathogens of head and neck infection. (OP889672), (OP889575), and (OR345133) were the isolated microorganisms from head and neck infections. The antimicrobial susceptibility pattern of these strains was performed through the Vitek 2 procedure. To perform the molecular docking analysis, ligands (phytocompounds) were retrieved from PubChem, and the 3D structure of target proteins was retrieved from the SWISS Model. Then to know the binding affinities of the phytocompounds of molecular docking was performed with the target proteins. The antimicrobial susceptibility pattern of the three strains revealed most of the antimicrobials are resistant to their respective pathogens.The molecular docking analysis found that γ-Sitosterol, Stigmasterol, and β-Amyrin, had the highest binding affinities with the target proteins followed by Lupeol. The phytocompounds of have the potency to inhibit multidrug resistance pathogens of head and neck infection and could be utilized further as therapeutic agents.
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