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Pyrimidine‐Pyrazole Hybrids as Morpholinopyrimidine‐Based Pyrazole Carboxamides: Synthesis, Characterisation, Docking, ADMET Study and Biological Evaluation
Author(s) -
Vekariya Mayur K.,
Vekariya Rajesh H.,
Patel Kinjal D.,
Raval Nirav P.,
Shah Prapti U.,
Rajani Dhanji P.,
Shah Nisha K.
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.201801011
Subject(s) - pyrazole , antimicrobial , adme , chemistry , combinatorial chemistry , in silico , docking (animal) , in vitro , pyrimidine , stereochemistry , mycobacterium tuberculosis , antibacterial activity , bacteria , biochemistry , biology , organic chemistry , tuberculosis , medicine , genetics , nursing , pathology , gene
With the utilization of molecular hybridization, a series of novel morpholinopyrimidine based distinctive pyrazole carboxamides were designed and synthesized in an attempt to develop newer antimicrobial agents against the increasing bacterial resistance. Structure of final targeted compounds were confirmed by spectral analysis i. e. 1 H‐NMR, 13 C‐NMR and Mass spectra. The newly synthesized compounds were screened for their preliminary in‐vitro antibacterial activity against a panel of pathogenic strains of bacteria and fungi, antituberculosis activity against Mycobacterium tuberculosis H37Rv and antimalarial activity against Plasmodium falciparum. In addition to this, In‐silico molecular docking study and ADME properties were likewise studied for the targeted compounds. It was inferred that from the series, Fluorinated anilide derivatives of morpholinopyrimidine clubbed with pyrazole carboxylate emerged out as potential antimicrobial candidates from the in‐vitro antimicrobial assay.