MCF-7 Human Breast Adenocarcinoma Anticancer and Antimicrobial, in silico Docking and ADME Prediction Studies of Furan Moiety Containing Substituted 2-Aminopyrimidine Derivatives
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 sil...
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Veröffentlicht in: | Asian journal of chemistry 2021-07, Vol.33 (7), p.1504-1512 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | 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). |
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ISSN: | 0970-7077 0975-427X |
DOI: | 10.14233/ajchem.2021.23186 |