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Vol. 32 No. 6 (2020): Vol 32 Issue 6

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Synthesis, Characterization, in vitro Antimicrobial Evaluation and in silico Molecular Docking and ADME Prediction of 4-Chlorophenyl Furfuran Derivatives bearing Pyrazole Moieties

https://doi.org/10.14233/ajchem.2020.22634
Manju Mathew
Department of Chemistry, Karpagam Academy of Higher Education, Salem-Kochi Highway, Eachanari, Coimbatore-641021, India
Raja Chinnamanayakar
Department of Chemistry, Karpagam Academy of Higher Education, Salem-Kochi Highway, Eachanari, Coimbatore-641021, India
Ezhilarasi Muthuvel Ramanathan
Department of Chemistry, Karpagam Academy of Higher Education, Salem-Kochi Highway, Eachanari, Coimbatore-641021, India
https://orcid.org/0000-0002-5084-9446

Corresponding Author(s) : Ezhilarasi Muthuvel Ramanathan

m.r.ezhilarasi@gmail.com

Asian Journal of Chemistry, Vol. 32 No. 6 (2020): Vol 32 Issue 6

Abstract

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.

Keywords

4-Chlorophenyl furfuraldehyde in silico Molecular docking in silico ADME property Antimicrobial activity
Mathew, M., Chinnamanayakar, R., & Ramanathan, E. M. (2020). Synthesis, Characterization, in vitro Antimicrobial Evaluation and in silico Molecular Docking and ADME Prediction of 4-Chlorophenyl Furfuran Derivatives bearing Pyrazole Moieties. Asian Journal of Chemistry, 32(6), 1482–1490. https://doi.org/10.14233/ajchem.2020.22634
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