Structure-based design, synthesis, molecular docking, and biological activities of 2-(3-benzoylphenyl) propanoic acid derivatives as dual mechanism drugs.

ABSTRACT:

Purpose

2-(3-benzoyl phenyl)propanohydroxamic acid (2) and 2-{3-[(hydroxyimino)(phenyl)methyl]phenyl}propanoic acid (3) were synthesized from non-steroidal anti-inflammatory drug, ketoprofen as dual-mechanism drugs.

Materials and methods

Structures of the synthesized compounds were established by IR, (1)H NMR, and mass spectroscopy. Both compounds were screened for their anti-inflammatory activity in rat paw edema model and in vitro antitumor activity against 60 human tumor cell lines. Flexible ligand docking studies were performed with different matrix metalloproteinases and cyclooxygenases to gain an insight into the structural preferences for their inhibition.

Results

Compound (2) proved out to be more potent than ketoprofen in rat paw edema model. Both compounds s

SUBMITTER: Ahmed MA 

PROVIDER: S-EPMC3283955 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature