Chitosan Schiff base electrospun fabrication and molecular docking assessment for nonleaching antibacterial nanocomposite production.

ABSTRACT: In this work, new chitosan derivative nanofibers that exhibit antibacterial properties were successfully fabricated. The two CS Schiff base derivatives (CS-APC and CS-2APC) were prepared by incorporating 4-amino antipyrine moiety in two different ratios, followed by a reductive amination to obtain the corresponding derivatives CS-APCR and CS-2APCR. Spectral analyses were used to confirm the chemical structure. The molecular docking evaluation of CS-APC, CS-APCR, and CS was conducted on DNA topoisomerase IV, thymidylate kinase and SARS-CoV-2 main protease (3CL^pro) active sites. CS-APCR showed a well-fitting into the three enzyme active sites with docking score values of  - 32.76,  - 35.43 and  - 30.12 kcal/mol, respectively. The nanocomposites of CS derivatives were obtained by e

SUBMITTER: Ali EA 

PROVIDER: S-EPMC10015525 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature