Abstract
Design, synthesis, and antibacterial activities of a series of arylsulphonamide derivatives as probable peptide deformylase (PDF) inhibitors have been discussed. Compounds have been designed following Lipinski’s rule and after docking into the active site of PDF protein (PDB code: 1G2A) synthesized later on. Furthermore, to assess their antibacterial activity, screening of the compound was done in vitro conditions against Gram-positive and Gram-negative bacterial strains. In silico, studies revealed these compounds as potential antibacterial agents and this fact was also supported by their prominent scoring functions. Antibacterial results indicated that these molecules possessed a significant activity against Staphylococcus aureus, Bacillus cereus, Pseudomonas aeruginosa, and Escherichia coli with MIC values ranging from 0.06 to 0.29 μM. TOPKAT results showed that high LD50 values and the compounds were assumed non-carcinogenic when various animal models were studied computationally.
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Financial assistance in the form of WOS-A fellowship (SR/WOS-A/CS-1053/2014) to Anuradha Singh by the DST, New Delhi is sincerely acknowledged.
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Singh, A., Srivastava, R. & Singh, R.K. Design, Synthesis, and Antibacterial Activities of Novel Heterocyclic Arylsulphonamide Derivatives. Interdiscip Sci Comput Life Sci 10, 748–761 (2018). https://doi.org/10.1007/s12539-016-0207-2
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DOI: https://doi.org/10.1007/s12539-016-0207-2