Journal of Proteomics & Bioinformatics
Open Access

Abstract

Pyrazole Based Inhibitors against Enzymes of Staphylococcus aureus: A Computational Study

G Jagadeesan, Vinodhkumar Vijayakuma, Malathy Palayam, G Suresh, Gunasekaran Krishnaswamy, S Aravindhan and Gunther H Peters

Pyrazole derivatives display a wide variety of biological activities such as antimicrobial, anti-inflammatory and anti-tumor activities. Its biological prominence has intrigued chemists and biologists in recent years to synthesize new pyrazole derivatives as antiviral, antibacterial and anticancer agents. The current study focuses on molecular docking and dynamics studies of pyrazole derivatives against Nucleosidase and DNA gyrase B of Staphylococcus aureus. Molecular docking and dynamics studies reveal that some of these derivatives show better binding abilities than some of the current drugs available on the market.