Water-assisted cascade synthesis of trifluoromethylated dipyridodiazepinone analogues: <i>in vitro</i> and <i>in silico</i> antibacterial studies
Shivangi Jaiswal, Dharma Kishore, Annu Bhardwaj, Khushboo Bhardwaj, Shruti Richa, Smita Jain, Jaya Dwivedi, Swapnil Sharma
Abstract
molecular docking, molecular simulation, drug-likeness, physicochemical and ADMET studies. Results from biological evaluation and computational studies revealed that compound 5i could be used as a lead molecular structure for the development of novel antibacterial agents. In conclusion, the green metrics evaluation of the defined protocol provides advantages in the synthesis of biologically active compounds.
Topics & Concepts
In silicoIn vitroCascadeChemistryCombinatorial chemistryAntibacterial activityStereochemistryChromatographyBiologyBiochemistryBacteriaGeneticsGeneFluorine in Organic ChemistryCarbohydrate Chemistry and SynthesisSynthesis and Biological Evaluation