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Novel O‐Alkylated Chromones as Antimicrobial Agents: Ultrasound Mediated Synthesis, Molecular Docking and ADME Prediction
Author(s) -
Dofe Vidya S.,
Sarkate Aniket P.,
Lokwani Deepak K.,
Shinde Devanand B.,
Kathwate Santosh H.,
Gill Charansing H.
Publication year - 2017
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.2868
Subject(s) - chemistry , adme , antimicrobial , bacillus subtilis , candida tropicalis , candida albicans , docking (animal) , candida glabrata , escherichia coli , combinatorial chemistry , in silico , stereochemistry , in vitro , bacteria , biochemistry , organic chemistry , microbiology and biotechnology , medicine , nursing , biology , gene , genetics , yeast
In the development of novel antimicrobial agents, we synthesized novel O‐alkylated chromones 4a–f by ultrasound‐assisted method. The synthesized compounds were characterized by IR, 1 H NMR, 13 C NMR, MS, and elemental analysis. All compounds were assessed in vitro for their efficacy as antimicrobial agents against four bacteria ( Staphylococcus aureus , Bacillus subtilis , Escherichia coli , Pseudomonas aeruginosa ) and three fungi ( Candida albicans , Candida glabrata , Candida tropicalis ). In particular, compounds 4a , 4b , 4d , 4e , and 4f exhibited potent antimicrobial activity. Molecular docking study was used to rationalize binding interaction at the active site, and the result showed good binding interaction. The compounds were also processed for in silico ADME prediction, and the result showed that compounds could be exploited as an oral drug candidate.