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4‐Substituted thieno[2,3‐ d ]pyrimidines as potent antibacterial agents: Rational design, microwave‐assisted synthesis, biological evaluation and molecular docking studies
Author(s) -
Gill Rupinder K.,
Singh Harpreet,
Raj Tilak,
Sharma Anuradha,
Singh Gagandeep,
Bariwal Jitender
Publication year - 2017
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/cbdd.13028
Subject(s) - adme , staphylococcus aureus , bacillus subtilis , docking (animal) , antibacterial activity , escherichia coli , in silico , pseudomonas aeruginosa , chemistry , combinatorial chemistry , stereochemistry , dna gyrase , in vitro , microbiology and biotechnology , biochemistry , biology , bacteria , medicine , gene , nursing , genetics
In an attempt to discover a new class of antibacterial agents with improved efficacy and to overcome the drug‐resistant problems, some novel 4‐substituted thieno[2,3‐ d ]pyrimidines have been synthesized via microwave‐assisted methodology and evaluated for their in vitro antibacterial activity against various pathogenic bacterial strains. Compounds 12 b and 13 c showed the promising inhibitory potencies against Staphylococcus aureus , Bacillus subtilis , Pseudomonas aeruginosa and Escherichia coli with MIC s ranging from 2 to 10 μg/ml. Compound 13 c was also found to be highly potent against methicillin‐resistant S. aureus ( MRSA ) with MIC value of 4 μg/ml. Docking simulation studies have been performed to unravel the mode of action and association study indicate the binding of potent compounds with DHPS enzyme. In silico ADME studies suggest the drug‐like characteristics of the potent compounds.