A new series of 2‐(4‐(benzo[d]thiazol‐5‐ylsulfonyl)piperazin‐1‐yl)‐N‐substituted acetamide (5a‐5k) compounds have been synthesized, and these compounds were characterized with spectral data like IR, NMR, and Mass spectroscopy. All compounds were evaluated in vitro for their efficacy as antimicrobial against Gram‐positive and Gram‐negative pathogenic bacterial strains such as Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa using ciprofloxacin as a standard and fungal strains like Candida albicans and Aspergillus fumigatus as compared with standard drug Clotrimazole, and Molecular docking study shows that all these compounds were having good to excellent correlation binding energy as compared with binding energy of standard drugs.
A new series of 1-(4-methoxyphenyl)-N-substituted phenyl-1H-1,2,3-triazole-4-carboxamide derivates (4A-4N) have been synthesized in excellent yields and structures were characterized by spectral techniques like 1 H-NMR, 13 C-NMR, LC-MS & FT-IR. The newly synthesized derivatives were evaluated for anticancer activity against breast cancer cell lines MCF-7 and MDA-MB-231. Among them, compound 4H (IC 50 = 13.11 µM and 23.61 µM) and compound 4M (IC 50 = 11.55µM to 31.87µM) shows good cytotoxicity activity toward both cell line, while compounds 4B (IC 50 = 9.48 µM), 4I (IC 50 = 7.11 µM), and 4J (IC 50 = 8.27 µM) showed promising cytotoxicity against MCF-7 cell line as compared with standard (Doxorubicin). Also explored docking study with binding mode of interactions and active site in EGFR tyrosinse (PDB ID: 2J5F) proteins and molecular docking study shows very good interaction with the tyrosinse kinase active site. In addition of this targeted compounds were studied the pharmacokinetic and the compounds were follow Lipinski's rule of ve as well as compounds have acceptable good drug-likeness score properties.
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