A series of 4(5-(4-chlorophenyl)furan-2-yl)-6-phenylpyrimidin-2-amine derivatives (5a-h) were
synthesized from 2-(4-chlorophenyl)-5-styrylfuran (3a-h) with guanidine nitrate in absolute ethanol
under conventional method and evaluated for their in vitro anticancer, antimicrobial activities and in
silico studies. The chemical structure of the furan moiety containing substituted amino pyrimidine
derivatives (5a-h) were elucidated from spectroscopic analysis like infrared, 1H & 13C NMR spectral
data and CHN analysis. in silico docking studies were predicted for the synthesized compounds (5a-h)
using bacterial protein 1UAG and in silico ADME predictions were also carried for the synthesized
compounds (5a-h). The in vitro anticancer study was carried the compound 5b by MMT assay.
Compound 5b shows the LC50 value of 120.15 ± 0.003 μg/mL. in vitro Antimicrobial activities were
screened for the compounds (5a-h) using different strains. Compound 5h has electron withdrawing
group in benzene ring substituted in the para position showed good antimicrobial activity against all
the bacterial strains and fungal strains. in silico studies, compound 5h shows excellent docking score
(-9.7 kcal/mol) compared with ciprofloxacin (-7.8 kcal/mol).
A series of 1-(5-(5-(4-chlorophenyl)furan-2-yl)-4,5-dihyropyrazol-1-yl ethanone (5a-h) was synthesized
through E-(3-(5-(4-chloro-phenyl)furan-2-yl)-1-phenylprop-2-en-1-one (3a-h) with hydrazine
monohydrate and sodium acetate. Totally, eight compounds were synthesized and their structures
were elucidated by infrared, 1H & 13C NMR, elemental analysis, antimicrobial studies, in silico molecular
docking studies and also in silico ADME prediction. Antimicrobial studies of the synthesized
compounds showed good to moderate activity against the all the stains compared with standard drugs.
in silico Molecular docking study was carried out using bacterial protein and BC protein. Synthesized
compounds (5a-h) showed good docking score compared with ciprofloxacin. Antimicrobial study
was carried out for 4-chlorophenyl furfuran pyrazole derivatives (5a-h). The results of assessment of
toxicities, drug likeness and drug score profiles of compounds (5a-j) are promising
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