Identification of the potential biological target of N-benzenesulfonyl-1,2,3,4-tetrahydroquinoline compounds active against gram-positive and gram-negative bacteria

MARTINEZ, SOL R.; PAVANI, CHRISTIANE C.; BAPTISTA, MAURICIO S.; BECERRA, MARÍA C.; QUEVEDO, MARIO A.; RIBONE, SERGIO R.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

ADENINE PRESS

Año: 2020 vol. 38 p. 2412 - 2412

0739-1102

he development of new antibiotics with activity towards a broad spectrum of bacteria, including multiresistant strains, is a very important topic for global public health. As part of previous works, N-benzenesulfonyl-1,2,3,4-tetrahydroquinoline (BSTHQ) derivatives were described as antimicrobial agents active against gram-positive and gram-negative pathogens. In this work, experimental and molecular modelling studies were performed in order to identify their potential biological target in the light of structure-based design efforts towards further BSTHQ derivatives. First, a carboxyfluorescein leakage assay was performed using liposomes to mimic bacterial membranes, which found no significative membrane disruption effects with respect to control samples. These results support a non-surfactant antimicrobial activity of the tested compounds. In a second stage, the inhibition of potential antimicrobial targets was screened using molecular modelling methods, taking into account previously