In:
Asian Journal of Chemistry, Asian Journal of Chemistry, Vol. 34, No. 12 ( 2022), p. 3231-3242
Abstract:
A series of carboxamide and carbothioamide derivatives of phthalimide have been synthesized
efficiently by employing water as a green reaction media. The synthesized N-substituted phthalimide derivatives have been characterized by spectroscopic, elemental and their quantum parameters, including
molecular orbital energies are deduced by DFT modeling. The molecular docking of synthesized derivatives against B-DNA (pdb:1bna) displays favourable binding interactions and satisfactory docking
scores, predicting their significant antimicrobial efficacy. The synthesized phthalimide derivatives were screened for in vitro antimicrobial and antioxidant activity using broth microdilution method
and DPPH radical scavenging assay, respectively. Some of the title compounds exhibited promising the antimicrobial and antioxidant potential. The pharmacokinetics parameters and bioavailability of
the title compounds were accessed by in silico ADMET analysis to envisage their drug efficacy.
Type of Medium:
Online Resource
ISSN:
0975-427X
,
0970-7077
DOI:
10.14233/ajchem.2022.24042
Language:
English
Publisher:
Asian Journal of Chemistry
Publication Date:
2022
detail.hit.zdb_id:
3140213-6
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