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Design, Synthesis and Molecular Docking Studies of Novel Triazole‐Chromene Conjugates as Antitubercular, Antioxidant and Antifungal Agents
Author(s) -
Khare Smita P.,
Deshmukh Tejshri R.,
Sangshetti Jaiprakash N.,
Krishna Vagolu S.,
Sriram Dharmarajan,
Khedkar Vijay M.,
Shingate Bapurao B.
Publication year - 2018
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201801859
Subject(s) - docking (animal) , conjugate , triazole , chemistry , click chemistry , miconazole , mycobacterium tuberculosis , in vitro , active site , stereochemistry , enzyme , combinatorial chemistry , biochemistry , antifungal , tuberculosis , biology , microbiology and biotechnology , organic chemistry , medicine , mathematical analysis , nursing , mathematics , pathology
A green and efficient protocol has been developed for the synthesis of novel 1,2,3‐triazole‐chromene conjugates ( 7 a‐j ) via ultrasound assisted and NaHCO 3 catalyzed for the first time. Structures of all the new conjugates were deduced by various spectroscopic techniques. The newly synthesized triazole‐chromene conjugates were evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Rv strain. The conjugates 7 f and 7 h were found to be most active with MIC value 12.5 μg/mL. Furthermore, all the conjugates were screened for their antioxidant activity and are highly active (IC 50 =7.05‐14 μg/mL) than the reference drug BHT (16.47 μg/mL). The triazole‐chromene conjugates were also screened for their in vitro antifungal activity and some of the conjugates 7 a , 7 b , 7 d , 7 e , 7 f and 7 i were exhibited potent activity (MIC=6.25‐25 μg/mL) than the reference drug Miconazole. Docking studies showed significant binding affinity in the active site of Mycobacterium tuberculosis DprE1 enzyme.