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Design, Docking, and Synthesis of Quinoline‐2 H ‐1,2,4‐triazol‐3(4 H )‐ones as Potent Anticancer and Antitubercular Agents
Author(s) -
Somagond Shilpa M.,
Kamble Ravindra R.,
Kattimani Pramod P.,
Shaikh Saba Kauser J.,
Dixit Sheshagiri R.,
Joshi Shrinivas D.,
Devarajegowda Hirihalli C.
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.201702279
Subject(s) - protein data bank (rcsb pdb) , inha , hela , docking (animal) , quinoline , in vitro , chemistry , stereochemistry , enzyme , combinatorial chemistry , biochemistry , mycobacterium tuberculosis , tuberculosis , medicine , organic chemistry , nursing , pathology
A new series quinoline‐2 H ‐1,2,4‐triazol‐3(4 H )‐ones 7 g‐n and 11 g‐n were designed and synthesized. Docking studies of title compounds with DNA (PDB: 1AU5) and with long‐chain enoyl‐acyl carrier protein reductase (InhA) enzyme (PDB ID: 4TZK) as anticancer and antitubercular targets showed good insights on the possible interactions. Further, the compounds were tested for in vitro anticancer activity against HeLa human cervix tumor cell line and also in vitro antitubercular activity against M. tuberculosis H37Rv [MTB] (ATCC‐27294). Some of the compounds exhibited promising activities in both the protocols. Hence, these compounds may be considered as pharmacological lead molecules of interest.