title: Design, Synthesis, and Antibacterial Activities of Novel Heterocyclic Arylsulphonamide Derivatives.
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 LD50values and the compounds were assumed non-carcinogenic when various animal models were studied computationally.
authors.affiliation: Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad, 211002, India.
authors.forename: Anuradha
authors.initials: A
authors.lastname: Singh
authors.affiliation: Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad, 211002, India.
authors.forename: Ritika
authors.initials: R
authors.lastname: Srivastava
authors.affiliation: Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad, 211002, India. rksinghsrk@gmail.com.
authors.forename: Ramendra K
authors.initials: RK
authors.lastname: Singh
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000494:pharmacology* / Q000633:toxicity; D001419:Bacteria / Q000187:drug effects; D015195:Drug Design; D006571:Heterocyclic Compounds / Q000138:chemical synthesis* / Q000494:pharmacology* / Q000633:toxicity; D008024:Ligands; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D018570:Risk Assessment; D013329:Structure-Activity Relationship; D013449:Sulfonamides / Q000138:chemical synthesis* / Q000494:pharmacology* / Q000633:toxicity
chemical_list: D000900:Anti-Bacterial Agents; D006571:Heterocyclic Compounds; D008024:Ligands; D013449:Sulfonamides
keywords: Antibacterial activity; Arylsulphonamides; Peptide deformylase inhibitors; QSTR; SAR