Abstract

Aim: The goal is to compare the antibiofilm characteristics of carbohydrate derivatives to commercial antibiotics, and docking will be used to see how the ligand, protein, and antibiotic interact molecularly. Materials and methods: The protein structure was obtained from the PDB (protein data bank) website, while the ligand structure was obtained from the NCBI-PubChem website. The biofilm from Staphylococcus aureus (bap-c1) as a protein, gluconolactone as a ligand, and nafcillin as an antibiotic are the three different types of chemicals employed for docking. The sample size was calculated using G power with pretest power at 80% and alpha value of 0.05. The sample size per group is 10 and total sample size is 30. Docking studies of protein and ligands were performed using Auto dock software. Statistics of the interactions were analyzed using IBM SPSS software. Result: Molecular interactions revealed that nafcillin shows more affinity towards the protein compared to gluconolactone and clindamycin. The binding affinity values were compared using SPSS software, it reveals that the statistical insignificance observed between the gluconolactone and nafcillin is 0.73 and for gluconolactone and clindamycin is 0.565 Conclusion: The antibiotic nafcillin appears to be more specific and selective in its antibacterial activity against the target protein.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call