In vitro Antibacterial Evaluation and in silico Docking of Schiff Base as a Potential Inhibitor of Nucleoside Diphosphate Kinases

Abstract:

Aim: Schiff bases are vital Compounds of organic chemistry; they have exhibited more potential biological activities namely antiviral, antibacterial, and antifungal characteristics. Molecular docking studies suggested that strong binding energies, as well as favorable hydrogen bonds and hydrophobic interactions, could be beneficial for the pharmacological application of the compounds. Moreover, the aid of the ADMET score may support the therapeutic action of potential pharmaceutical compounds. Materials and Methods: In the present work, In vitro studies were conducted on five Schiff bases named BIP, CIP, PT, NIP, and DPIP against Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Acinetobacter baumannii and Pseudomonas aeruginosa. In silico studies were also performed on the same five Schiff bases, evaluating their interaction with the target proteins of Staphylococcus aureus and Escherichia coli. Results: In vitro results of BIP and NIP showed mild MIC (minimum inhibition concentration) against Staphylococcus aureus and Escherichia Coli respectively, while PT showed good MIC against pathogenic bacteria Staphylococcus aureus which was upheld by in silico study. Conclusion: We hope the findings of the present study should contribute to developing a good anti-bacterial drug.

Keywords: Antibacterial Study, Schiff base ligand, Escherichia coli, Staphylococcus aureus, Molecular Docking.