Synthesis, biological evaluation and molecular docking of novel coumarin incorporated triazoles as antitubercular, antioxidant and antimicrobial agents

TitleSynthesis, biological evaluation and molecular docking of novel coumarin incorporated triazoles as antitubercular, antioxidant and antimicrobial agents
Publication TypeJournal Article
Year of Publication2016
AuthorsShaikh, MH, Subhedar, DD, Shingate, BB, Khan, FAKalam, Sangshetti, JN, Khedkar, VM, Nawale, L, Sarkar, D, Navale, GR, Shinde, SS
JournalMedicinal Chemistry Research
Volume25
Issue4
Pagination790-804
Date PublishedAPR
ISSN1054-2523
Keywords1, 2, 3-Triazole, ADME prediction, Antimicrobial, Antioxidant, Antitubercular, Click chemistry, Docking study
Abstract

A series of new coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular activity in vitro against Mycobacterium tuberculosis H37Ra, antioxidant activity by DPPH radical scavenging assay, antimicrobial activity in vitro against three gram-positive bacteria (Staphylococcus aureus, Micrococcus luteus and Bacillus cereus) and three gram-negative bacteria (Escherichia coli, Pseudomonas fluorescens and Flavobacterium devorans as well as three fungi (Aspergillus niger, Penicillium chrysogenum and Curvularia lunata). The bioactive assay showed that some synthesized coumarin triazoles displayed comparable or even better antitubercular, antioxidant, antibacterial and antifungal efficacy in comparison with reference drugs. Furthermore, docking study has been performed against DprE1 enzyme of M. tuberculosis that showed good binding interactions. Moreover, the synthesized compounds were also analyzed for ADME properties and showed potential to build up as good oral drug candidates. New coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular, antioxidant, antibacterial and antifungal activity. Some of the coumarin-based triazole derivatives displayed comparable or even better efficacy in comparison with reference drugs. Molecular docking study has been performed against DprE1 enzyme of Mycobacterium tuberculosis showed good binding interactions. [GRAPHICS] .

DOI10.1007/s00044-016-1519-9
Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)

1.436

Divison category: 
Organic Chemistry