none 10.31254/phyto.2024.13202 BioMed Research Publishers BioMed Research Publishers 16195 160620936 316921 20240511110216784 10.31254 2024-05-11T15:02:25Z 2024-05-11T15:02:21Z 0 The Journal of Phytopharmacology J Phytopharmacol 2320480X 10.31254/phyto https://www.phytopharmajournal.com/ 4 30 2024 13 2 KK Aathira Suja Rani S Divya Rajaselvi N B Varsha CS Ashmi AR Nisha Bibu John Kariyil R Anoopraj R Uma This research explores the multifaceted pharmacological actions of essential oils and its constituents, derived as secondary metabolites from aromatic plants, with a particular focus on their potent wound healing and antibacterial activities, elucidating their significance in therapeutic approach towards infected wounds. An in silico screening was carried out to identify the interaction between the bioactive essential oil contituents (EOC) such as cinnamaldehyde, citral, geraniol, linalool, and p-cymene, docked against various target proteins associated with antibiotic resistance and wound healing, including mec A (PDB ID- 4DK1), nor A (PDB ID- 7LO8), TGF- β1 (PDB ID- 1PY5), TGF- β2 (PDB ID- 1M9Z), VEGF (PDB ID-3QTK), GSK-3β (PDB ID-1Q5K) and MMP-9 (PDB ID-5UE4). The docking was done with AutoDock V 4.0 using five EOCs against seven receptors and the binding energy was gaged. The binding energy of EOCs were observed to be ranging from -5.3 kcal/mol to -2.55 kcal/mol. Notably, all the screened EOCs exhibited favourable binding affinity with GSK-3β, indicating their potential role in the inflammatory phase of wound healing. Additionally, towards antibiotic resistance, all EOC displayed adequate binding affinity with norA, suggesting their potential in modulating multidrug resistant efflux pumps. Compliance with Lipinski's rule, positions these EOC as promising candidates for drug development, particularly in the context of wound healing and antibiotic resistance. This study holds the promise of contributing novel insights to the field of wound care and combating antibiotic resistance, paving the way for innovative approaches in addressing the challenges posed by multi-drug resistant Staphylococcus aureus (MDRSA) infected wounds. 4 30 2024 90 96 1 10.31254/biomed-crossmark-policy www.biomedresearch.org false 10.31254/phyto.2024.13202 https://www.phytopharmajournal.com/assets/pdf_files/Vol13_Issue2_02.pdf