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Design and Synthesis of Antimicrobial Active ( E )‐(3‐(Substituted‐styryl)‐7 H ‐furo[2,3‐ f ]chromen‐2‐ yl )(phenyl)methanone Derivatives and Their In Silico Molecular Docking Studies
Author(s) -
Boddupally Srinivas,
Jyothi Prashanth,
Rao Mandava Venkata Basaveswara,
Rao Koya Prabhakara
Publication year - 2019
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.3373
Subject(s) - chemistry , antimicrobial , antifungal , microwave irradiation , proton nmr , aryl , carbon 13 nmr , docking (animal) , combinatorial chemistry , stereochemistry , fourier transform infrared spectroscopy , antibacterial activity , nuclear chemistry , medicinal chemistry , organic chemistry , bacteria , physics , quantum mechanics , medicine , alkyl , nursing , dermatology , biology , genetics , catalysis
Nine new ( E )‐(3‐(substituted‐styryl)‐7 H ‐furo[2,3‐ f ]chromen‐2‐yl)(phenyl)methanone derivatives, 7 ( a – i ), with an efficient microwave‐assisted synthetic method was achieved by reacting with ( E )‐3‐(aryl)‐1‐(5‐hydroxy‐2 H ‐chromen‐6‐yl)prop‐2‐en‐1‐ones and 2‐bromo‐1‐(4‐bromophenyl)ethanone. The microwave irradiation method was found to be best with high yields and with shorter reaction times compared with the conventional method. All the new products structural assignments were confirmed by spectral data like FTIR, 1 H NMR, 13 C NMR, ESI MS, and analytical data. Moreover, these newly synthesized compounds were tested in vitro for their antimicrobial activity against various bacterial and fungal strains. Some of these new chromen derivatives like 7b , 7c , and 7d exhibits good antibacterial and antifungal activities. Furthermore, these biological evolution results were a good correlation with molecular docking studies performed based on their computational DFT minimized structures exhibited high binding energies.