[PDF][PDF] Virtual Screening of Natural Compounds as Potential SARS-CoV-2 Mpro Inhibitors: A Molecular Docking and Molecular Dynamics Simulation Guided Approach

D Lokwani, S Chavan, A Sarkate, P Natarajan… - Chem. Proc, 2023 - sciforum.net
The coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) has significantly impacted human lives …

Virtual screening of natural compounds as potential SARS-CoV-2 main protease inhibitors: a molecular docking and molecular dynamics simulation guided approach

DK Lokwani, SR Chavan, AP Sarkate… - Chemistry …, 2023 - mdpi.com
The 2019 coronavirus (COVID-19) pandemic caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) has significantly impacted human lives, overburdened the …

Computational investigation of natural compounds as potential main protease (Mpro) inhibitors for SARS-CoV-2 virus

CN Patel, SP Jani, SP Kumar, KM Modi… - Computers in Biology and …, 2022 - Elsevier
Abstract The coronavirus disease 2019 (COVID-19) pandemic caused by severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) is significantly impacting human lives …

Could Natural Products Confer Inhibition of SARS-CoV-2 Main Protease? In-silico Drug Discovery

MEF Hegazy - koreascience.kr
In December 2019, the COVID-19 epidemic was discovered in Wuhan, China, and since has
disseminated around the world impacting human health for millions. Herein, in-silico drug …

Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations

CN Patel, SP Jani, DG Jaiswal, SP Kumar… - Scientific Reports, 2021 - nature.com
Abstract Novel SARS-CoV-2, an etiological factor of Coronavirus disease 2019 (COVID-19),
poses a great challenge to the public health care system. Among other druggable targets of …

[PDF][PDF] Virtual screening and molecular docking studies of certain lead-like compounds from ZINC15 database against COVID-19 Mpro enzyme

ES İstifli - target, 2021 - researchgate.net
Abstract Aim: The COVID-19 epidemic, which first emerged in Wuhan in December 2019,
rapidly affected the globe in the form of a pandemic, and currently millions of people are …

[PDF][PDF] Natural products as inhibitors of COVID-19 main protease–A virtual screening by molecular docking

M Omrani, M Bayati, P Mehrbod, KA Bardazard… - Pharmaceutical …, 2021 - sid.ir
Abstract Background: The novel coronavirus (2019-nCoV) causes a severe respiratory
illness unknown to a human before. Its alarmingly quick transmission to many countries …

Identification of potent compounds against SARs-CoV-2: An in-silico based drug searching against Mpro

M Hassam, MA Bashir, S Shafi, K Khan, K Jalal… - Computers in Biology …, 2022 - Elsevier
The worldwide pandemic of coronavirus disease 2019 (COVID-19) along with the various
newly discovered major SARS-CoV-2 variants, including B. 1.1. 7, B. 1.351, and B. 1.1. 28 …

[HTML][HTML] Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations

DS Jairajpuri, A Hussain, K Nasreen… - Saudi Journal of …, 2021 - Elsevier
Abstract Coronavirus disease 2019 (COVID-19) has emerged from China and globally
affected the entire population through the human-to-human transmission of a newly …

SARS-CoV-2 Mpro inhibitors: identification of anti-SARS-CoV-2 Mpro compounds from FDA approved drugs

S Bharadwaj, EI Azhar, MA Kamal… - Journal of …, 2022 - Taylor & Francis
Recent outbreak of COVID-19 pandemic caused by severe acute respiratory syndrome-
Coronavirus-2 (SARS-CoV-2) has raised serious global concern for public health. The viral …