Discovery of Novel Inhibitors of Bacterial DNA Gyrase Using a QSAR-Based Approach
Ritu Jakhar, Alka Khichi, Dev Kumar, Mehak Dangi, Anil Kumar Chhillar
Abstract
DNA gyrase. Ninety-one per cent of the analogues screened by the QSAR model displayed better binding energy than ciprofloxacin, demonstrating the efficacy of the generated model. The NN-QSAR model proposed in this manuscript can be downloaded from https://github.com/ritu225/NN-QSAR_model.git.
Topics & Concepts
DNA gyraseQuantitative structure–activity relationshipDNA supercoilCiprofloxacinDocking (animal)Computational biologyDNAAutoDockChemistryCombinatorial chemistryStereochemistryBiologyBiochemistryIn silicoAntibioticsEscherichia coliMedicineGeneDNA replicationNursingCancer therapeutics and mechanismsAntibiotic Resistance in BacteriaNeutropenia and Cancer Infections