Jump to main content
Jump to site search

Issue 19, 2017
Previous Article Next Article

Synthesis, characterization, in silico molecular docking study and biological evaluation of a 5-(phenylthio) pyrazole based polyhydroquinoline core moiety

Author affiliations

Abstract

A multicomponent cyclocondensation reaction has been developed by incorporating 3-methyl-5-substituted phenylthio-1-phenyl-1H-pyrazole-4-carbaldehydes 3a–c, various enaminones 6a–c and different active methylene compounds 7a–c (malononitrile 7a/ethylcaynoacetate 7b/caynoacetamide 7c) in the presence of piperidine as a basic catalyst, to afford a combinatorial library of polyhydroquinoline scaffolds, i.e.8a–p. The targeted compounds were synthesized in good to excellent yields (71–84%). All the synthesized compounds have been characterized by 1H NMR, 13C NMR, IR, mass spectrometric techniques and elemental analysis. All the synthesized compounds were evaluated in vitro for their antibacterial, antitubercular and antimalarial activities. An in silico molecular docking study as well as in silico pharmacokinetics evaluation have been carried out. Many candidates of this new class revealed noticeable activities against first line drugs.

Graphical abstract: Synthesis, characterization, in silico molecular docking study and biological evaluation of a 5-(phenylthio) pyrazole based polyhydroquinoline core moiety

Back to tab navigation

Supplementary files

Publication details

The article was received on 03 Jun 2017, accepted on 17 Aug 2017 and first published on 18 Aug 2017


Article type: Paper
DOI: 10.1039/C7NJ01962A
Citation: New J. Chem., 2017,41, 10686-10694
  •   Request permissions

    Synthesis, characterization, in silico molecular docking study and biological evaluation of a 5-(phenylthio) pyrazole based polyhydroquinoline core moiety

    N. H. Sapariya, B. K. Vaghasiya, R. P. Thummar, R. D. Kamani, K. H. Patel, P. Thakor, S. S. Thakkar, A. Ray and D. K. Raval, New J. Chem., 2017, 41, 10686
    DOI: 10.1039/C7NJ01962A

Search articles by author

Spotlight

Advertisements