Open AccessPotential Inhibitors of SARS-CoV-2 from <i>Neocarya macrophylla</i> (Sabine) Prance ex F. White: Chemoinformatic and Molecular Modeling Studies for Three Key Targets
Author(s) -
A. J. Yusuf,
M. I. Abdullahi,
Abdullahi Musa,
Hassan Abubakar,
Abubakar Muhammad Amali,
Asma’u Hamza Nasir
Publication year - 2022
Publication title -
turkish journal of pharmaceutical sciences
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.241
H-Index - 14
eISSN - 2148-6247
pISSN - 1304-530X
DOI - 10.4274/tjps.galenos.2021.57527
Subject(s) - chemistry , pharmacology , adme , pharmacokinetics , protease , docking (animal) , in silico , traditional medicine , biochemistry , biology , enzyme , medicine , nursing , gene
The novel coronavirus disease-2019 (COVID-19) that emerged in China, is a highly transmittable and pathogenic viral infection caused by the severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2); the disease has been declared by the World Health Organization as a Public Health Emergency of International Concern. The unavailability of approved therapeutic agents or vaccines is of great concern. This study performed molecular docking and absorption, distribution, metabolism, excretion and toxicity (ADMET) analysis of some compounds isolated from Neocarya macrophylla (Sabine) Prance ex F. White (Chrysobalanaceae) against three targets of SARS-CoV-2 proteins (3C-like protease, spike protein, and papain-like protease).