In silico drug discovery of major metabolites from spices as SARS-CoV-2 main protease inhibitors

MAA Ibrahim, AHM Abdelrahman, TA Hussien… - Computers in Biology …, 2020 - Elsevier
Abstract Coronavirus Disease 2019 (COVID-19) is an infectious illness caused by Severe
Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), originally identified in Wuhan …

The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic …

DA Abdelrheem, SA Ahmed… - … Science and Health …, 2020 - Taylor & Francis
This work aimed at evaluating the inhibitory effect of ten natural bioactive compounds (1–10)
as potential inhibitors of SARS-CoV-2-3CL main protease (PDB ID: 6LU7) and SARS-CoV …

Cameroonian medicinal plants as potential candidates of SARS-CoV-2 inhibitors

RT Fouedjou, S Chtita, M Bakhouch… - Journal of …, 2022 - Taylor & Francis
Abstract Coronavirus disease 2019 (COVID-19) is an ongoing pandemic instigated by
Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) which changed the daily …

Bioactive compounds from purslane (Portulaca oleracea L.) and star Anise (Illicium verum hook) as SARS-CoV-2 antiviral agent via dual inhibitor mechanism: in silico …

NS Aini, VD Kharisma, MH Widyananda… - Pharmacognosy …, 2022 - phcogj.com
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes the COVID-19
pandemic that infects humans and attacks the body's immune system. The purpose of the …

[HTML][HTML] In silico investigation of ACE2 and the main protease of SARS-CoV-2 with phytochemicals from Myristica fragrans (Houtt.) for the discovery of a novel COVID …

T Ongtanasup, S Wanmasae, S Srisang… - Saudi journal of …, 2022 - Elsevier
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the virus that causes
coronavirus disease 2019 (COVID-19), is a new coronavirus strain that was first reported in …

Molecular docking analysis of some phytochemicals on two SARS-CoV-2 targets

A Ubani, F Agwom, NY Shehu, P Luka, A Umera… - BioRxiv, 2020 - biorxiv.org
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)(previously called 2019
novel coronavirus (2019-nCoV) is the causative agent of coronavirus disease 2019 (COVID …

[HTML][HTML] In silico and in vitro evaluation of kaempferol as a potential inhibitor of the SARS‐CoV‐2 main protease (3CLpro)

A Khan, W Heng, Y Wang, J Qiu, X Wei… - Phytotherapy …, 2021 - ncbi.nlm.nih.gov
To the Editor, The recent SARs-CoV-2 created focal news when the paradoxical spread was
reported in the Wuhan province of China, further jeopardizing the existence of the human …

[HTML][HTML] Potential of Marine Terpenoids against SARS-CoV-2: An In Silico Drug Development Approach

A Sahoo, S Fuloria, SS Swain, SK Panda, M Sekar… - Biomedicines, 2021 - mdpi.com
In an emergency, drug repurposing is the best alternative option against newly emerged
severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection. However, several …

Targeting the 3CLpro and RdRp of SARS-CoV-2 with phytochemicals from medicinal plants of the Andean Region: molecular docking and molecular dynamics …

F Mosquera-Yuqui, N Lopez-Guerra… - Journal of …, 2022 - Taylor & Francis
Given the highly contagious nature of SARS-CoV-2, it has resulted in an unprecedented
number of COVID-19 infected and dead people worldwide. Since there is currently no …

In Silico Screening of Natural Products as Potential Inhibitors of SARS-CoV-2 Using Molecular Docking Simulation

R Hossain, C Sarkar, SMH Hassan, RA Khan… - Chinese journal of …, 2022 - Springer
Objective To explore potential natural products against severe acute respiratory syndrome
coronavirus (SARS-CoV-2) via the study of structural and non-structural proteins of human …