Pharmacophore modelling of vanillin derivatives, favipiravir, chloroquine, hydroxychloroquine, monolaurin and tetrodotoxin as MPro inhibitors of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2)

• Main Authors: Law, Woon Yi, Mohd Razip, Asaruddin, Showkat, Ahmad Bhawani, Samsur, Mohamad
• Format: Article
• Language: English
• Published: BioMed Central Ltd 2020
• Subjects: QD Chemistry
• Online Access: http://ir.unimas.my/id/eprint/45384/1/Pharmacophore.pdf; http://ir.unimas.my/id/eprint/45384/; https://bmcresnotes.biomedcentral.com/articles/10.1186/s13104-020-05379-6; https://doi.org/10.1186/s13104-020-05379-6

Objectives: The aim of this study was to use Ligand-based pharmacophore modelling approach for four established antiviral drugs, namely remdesivir, lopinavir, ritonavir and hydroxychloroquine for COVID-19 inhibitors as training sets. In this study Twenty vanillin derivatives together with monolaur...