Exploration of potential hit compounds targeting 1-deoxy-d-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii: an in silico investigation - Zia, Mahrukh Parveez; Jain, Monika; Muthukumaran, Jayaraman; Singh, Amit Kumar (3 Biotech, 2024)
Keywords: Acinetobacter baumannii; Agriculture; Antibiotics; Binding sites; biochemical pathways; Bioinformatics; Biomaterials; Biotechnology; Cancer Research; Carbapenems; Chemistry; Chemistry and Materials Science; computer simulation; D-Xylulose 5-phosphate; enamines; enzymes; Free energy; Gibbs free energy; Ligands; Molecular dynamics; Original; Original Article; pathogens; Reductoisomerase; species; Stem Cells; Structural stability; Substrate inhibition; surface area; Xylulose; MD simulations; MEP pathway; High-throughput virtual screening; DXR; IspC; Acinetobacter baumannii