Search for potential Inducible Nitric Oxide Synthase inhibitors with favorable ADMET profiles for the therapy of Helicobacter pylori infections.

CONCLUSION: The top-ranked compounds from the virtual screening workflow show promising results regarding the iNOS inhibition profile. The results evidenced the importance of the ionic bonding during docking selection, playing a crucial role in binding and positioning during ligand-target selection for iNOS.
PMID: 31721712 [PubMed - as supplied by publisher]

Source: Current Topics in Medicinal Chemistry - November 10, 2019 Category: Chemistry Authors: Rodrigues RP, Ardisson JS, Ribeiro Gonçalves RC, Oliveira TB, Barreto da Silva V, Kawano DF, Kitagawa RR Tags: Curr Top Med Chem Source Type: research