Molecular docking studies of phytocompounds of Coccinia grandis to inhibit antimicrobial-resistant pathogens of head and neck infection

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Original Article

Author Details : Smarita Lenka, Animesh Pattnaik, Santosh Kumar Swain, Subrat Kumar Tripathy, Debasmita Dubey*

Volume : 10, Issue : 4, Year : 2024

Article Page : 409-415

https://doi.org/10.18231/j.ijmmtd.2024.067

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Abstract

Background: 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.
Aim and Objective: This study involved the in-silico approach of finding the antimicrobial potent phytocompounds of the Coccinia grandis plant against the multidrug-resistant pathogens of head and neck infection.
Materials and Methods: Staphylococcus aureus (OP889672), Klebsiella pneumoniae (OP889575), and Candida albicans (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 C. grandis molecular docking was performed with the target proteins.
Results: 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 -Sitosterol, Stigmasterol, and -Amyrin, had the highest binding affinities with the target proteins followed by Lupeol.
Conclusion: The phytocompounds of C. grandis have the potency to inhibit multidrug resistance pathogens of head and neck infection and could be utilized further as therapeutic agents.

Keywords: Head and neck infection, multidrug resistance, Coccinia grandis, Phytocompounds, Molecular docking

How to cite : Lenka S, Pattnaik A, Swain S K, Tripathy S K, Dubey D, Molecular docking studies of phytocompounds of Coccinia grandis to inhibit antimicrobial-resistant pathogens of head and neck infection. IP Int J Med Microbiol Trop Dis 2024;10(4):409-415

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