<> "The repository administrator has not yet configured an RDF license."^^ . <> . . . "In silico evaluation of natural compounds to confirm their anti-DNA gyrase activity\r\n"^^ . "The slow clearance of bacteria owing to drug resistance to the currently available antibiotics has been a global public health issue. The development of antibiotic resistance in Staphylococcus aureus has become prevalent in community-acquired infections, posing a significant challenge. DNA gyrase, an enzyme essential in all bacteria but absent in higher eukaryotes, emerges as an attractive target for novel antibacterial agents. This type II topoisomerase introduces negative supercoils in double-stranded DNA, at the expense of ATP, during DNA replication. In this study, we conducted a comprehensive screening of natural compound libraries from the ZINC database using different computational approaches targeting DNA gyrase activity. We identified five promising compounds following a detailed screening of drug-like compounds using pharmacokinetic-based studies, including the determination of the compound absorption, distribution, metabolism, excretion, and toxicity. Furthermore, based on protein–ligand docking studies, we showed the position, orientation, and binding affinity of the selected compounds within the active site of DNA gyrase. Overall, our study provides a primary reference to explore the molecular mechanisms associated with the antibacterial activity of the selected compounds, representing an important step toward the discovery of novel DNA gyrase inhibitors. Further investigation involving structural optimization as well as comprehensive in vivo and in vitro evaluations are necessary to fully explore the potential of these chemicals as effective antibacterial agents.\r\n\r\n"^^ . "2023-06-03" . "66" . . "SPRINGER LINK"^^ . . . "Nucleus India"^^ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . "Daniela Paula de Toledo"^^ . "Thomazella"^^ . "Daniela Paula de Toledo Thomazella"^^ . . "Savitri"^^ . "Tiwari"^^ . "Savitri Tiwari"^^ . . "Samir Kumar "^^ . "Beura "^^ . "Samir Kumar Beura "^^ . . "Rajeev Kumar"^^ . "Tyagi"^^ . "Rajeev Kumar Tyagi"^^ . . "Pandiyan "^^ . "Muthuramalingam"^^ . "Pandiyan Muthuramalingam"^^ . . "Sunil Kumar"^^ . "Singh"^^ . "Sunil Kumar Singh"^^ . . "Pankaj Kumar "^^ . "Rai"^^ . "Pankaj Kumar Rai"^^ . . "Dinesh Kumar"^^ . "Prajapati"^^ . "Dinesh Kumar Prajapati"^^ . . "Yogesh"^^ . "Srivastava"^^ . "Yogesh Srivastava"^^ . . "Seemab"^^ . "Siddiqui"^^ . "Seemab Siddiqui"^^ . . "Reetesh "^^ . "Kumar"^^ . "Reetesh Kumar"^^ . . "Geetika"^^ . "Verma"^^ . "Geetika Verma"^^ . . "Somnath"^^ . "Maji"^^ . "Somnath Maji"^^ . . "Fabio Rogerio de "^^ . "Moraes "^^ . "Fabio Rogerio de Moraes "^^ . . "Hyunsuk "^^ . "Shin"^^ . "Hyunsuk Shin"^^ . . "Abhishek Ramachandra "^^ . "Panigrahi"^^ . "Abhishek Ramachandra Panigrahi"^^ . . "Pasupuleti Visweswara "^^ . "Rao "^^ . "Pasupuleti Visweswara Rao "^^ . . . . . "HTML Summary of #3188 \n\nIn silico evaluation of natural compounds to confirm their anti-DNA gyrase activity \n\n\n" . "text/html" . . . "QR Microbiology"@en . .