Ontology highlight
ABSTRACT:
SUBMITTER: Jayaraj P
PROVIDER: S-EPMC7333589 | biostudies-literature | 2020 Jan
REPOSITORIES: biostudies-literature
Jayaraj Premkumar P Narasimhulu Chandrakala A CA Maiseyeu Andrei A Durairaj Rekha R Rao Shashidhar S Rajagopalan Sanjay S Parthasarathy Sampath S Desikan Rajagopal R
Future medicinal chemistry 20191126 2
<b>Aim:</b> To evaluate new chemical entities, based on ferulic acid scaffolds, as reversible myeloperoxidase inhibitors (MPOI). <b>Methodology & results:</b><i>In silico</i> docking studies are performed with MPO protein as a target for several ferulic acid analogs followed by multiple <i>in vitro</i> assays to validate this approach. Two lead compounds <b>2a</b> and <b>3</b> are identified with optimum docking and IC<sub>50</sub> values: -7.95 kcal/mol, 0.9 μM and -8.35 kcal/mol, 8.5 μM, respe ...[more]