Aim: The goal is to compare the antibacterial properties of carbohydrates derivates to those of commercial antibiotics, using docking to see how the ligand, protein, and antibiotic interact molecularly. Materials and procedures: The PDB (protein data bank) website was used to obtain the protein structure, whereas the NCBI-PubChem website was used to gain the ligand structure. The three different types of chemicals used for docking include antibacterial from Staphylococcus aureus(1N67), gluconolactone as a ligand, and dicloxacillin as an antibiotic. The PubChem website contains the true nature of protein chemical structure, while the PDB website has the chemical structures of ligand and antibiotic. The goal was to see if the interaction between the antibacterial staphylococcus aureus (1N67) protein molecule and the antibiotic dicloxacillin was right. Using SPSS software, the independent sample t-test was employed to compare binding affinity. According to statistics, one-sided p values range from.18 to.001, whereas two-sided p values range from.345 to.001. Conclusion: When it comes to antibacterial activity against the target protein, the antibiotic dicloxacillin appears to be more specific and selective.

Aim: The goal is to compare the anti-fungal characteristics of carbohydrates derivatives to commercial antibiotics, and docking will be used to see how the ligand, protein, and anti-fungal 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 fungus from aspergillus parasiticus (3HQR) as a protein, gluconolactone as a ligand, and benzimidazoles as an antifungal are the three different types of chemicals employed for docking. The genuine nature of protein chemical structure may be found on the PubChem website, while the remaining two chemical structures of ligand and antifungal can be found on the PDB website. Result: To determine whether or not the interaction between the protein molecule of the fungus from aspergillus parasiticus (3HQR) and the antifungal benzimidazoles is correct. The independent sample t-test was used to compare binding affinity using SPSS software. Significant difference, one-sided p values are.18-.001, and the two-sided p-value is.689 -.001, according to statistics. Conclusion: The antifungal benzimidazoles appear to be more specific and selective in their antifungal activity against the target protein.

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.

Aim: The study is about to compare the antiviral properties of gluconolactone derivatives to those of commercial antiviral drugs, using docking to see how the ligand, protein, and antiviral drugs interact molecularly. Materials And Methods: The 3 Dimensional structures of protein and ligands were procured from the PubChem, Drug bank, and PDB databases. 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 Ribavirin shows more affinity towards the protein compared to gluconolactone and Phosphonoformate. The binding affinity values were compared using SPSS software, it reveals that the statistical insignificance observed between the gluconolactone and Phosphonoformate is 0.263 and for gluconolactone and Ribavirin is 0.565 Conclusion: The antiviral Ribavirin appears to be more specific and selectively works against the target protein when compared to the antivirus Phosphonoformate.