Premium
Synthesis, in vitro and in silico anti‐bacterial analysis of piperine and piperic ester analogues
Author(s) -
Sivashanmugam Arthi,
Velmathi Sivan
Publication year - 2021
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/cbdd.13842
Subject(s) - enterococcus faecalis , chemistry , piperine , acinetobacter baumannii , staphylococcus epidermidis , in silico , in vitro , docking (animal) , staphylococcus aureus , escherichia coli , stereochemistry , antimicrobial , biochemistry , pseudomonas aeruginosa , combinatorial chemistry , bacteria , biology , organic chemistry , medicine , genetics , nursing , gene
A set of 12 analogues of piperine was designed, replacing the amide functional group of the molecule with different aliphatic and aromatic ester functional groups. Molecular docking studies of these molecules with FDA‐approved target proteins for anti‐bacterial drugs were done. The binding energy of the proteins and the ligands were low and the analogues were found to be drug‐like based on the ADME results; hence, the molecules were synthesized. The synthesized compounds were tested for their anti‐bacterial property against six bacterial species via Agar well‐diffusion method. Acinetobacter baumannii , Escherichia coli , Staphylococcus aureus , Pseudomonas aeruginosa , Enterococcus faecalis and Staphylococcus epidermidis were the strains tested. The overall susceptibility is higher in gram‐positive. The analogues showed better activity than piperine. The analogues, propyl piperic ester (P3) and 2‐fluorophenyl piperic ester (P9) and 4‐fluorophenyl piperic ester (P10) showed comparatively bigger inhibition zones for all the strains.