[HTML][HTML] Molecular Docking and Dynamics Simulation Study of Hyrtios erectus Isolated Scalarane Sesterterpenes as Potential SARS-CoV-2 Dual Target Inhibitors
Simple Summary The ongoing coronavirus disease-2019 (COVID-19) pandemic shows
unprecedented challenges for the worldwide healthcare system. Despite the large clinical …
unprecedented challenges for the worldwide healthcare system. Despite the large clinical …
In a search for potential drug candidates for combating COVID-19: computational study revealed salvianolic acid B as a potential therapeutic targeting 3CLpro and …
AA Elmaaty, KM Darwish, M Khattab… - Journal of …, 2022 - Taylor & Francis
The global prevalence of COVID-19 disease and the overwhelming increase in death toll
urge scientists to discover new effective drugs. Although the drug discovery process is a …
urge scientists to discover new effective drugs. Although the drug discovery process is a …
[HTML][HTML] Identification of natural inhibitors against SARS-CoV-2 drugable targets using molecular docking, molecular dynamics simulation, and MM-PBSA approach
PP Kushwaha, AK Singh, T Bansal, A Yadav… - Frontiers in Cellular …, 2021 - frontiersin.org
The present study explores the SARS-CoV-2 drugable target inhibition efficacy of
phytochemicals from Indian medicinal plants using molecular docking, molecular dynamics …
phytochemicals from Indian medicinal plants using molecular docking, molecular dynamics …
[HTML][HTML] Antiviral phytocompounds “ellagic acid” and “(+)-sesamin” of Bridelia retusa identified as potential inhibitors of SARS-CoV-2 3CL pro using extensive …
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has infected billions and
has killed millions to date. Studies are being carried out to find therapeutic molecules that …
has killed millions to date. Studies are being carried out to find therapeutic molecules that …
Investigating the structure-activity relationship of marine polycyclic batzelladine alkaloids as promising inhibitors for SARS-CoV-2 main protease (Mpro)
Over a span of two years ago, since the emergence of the first case of the novel coronavirus
(SARS-CoV-2) in China, the pandemic has crossed borders causing serious health …
(SARS-CoV-2) in China, the pandemic has crossed borders causing serious health …
Discovery of Natural Bisbenzylisoquinoline Analogs from the Library of Thai Traditional Plants as SARS-CoV-2 3CLPro Inhibitors: In Silico Molecular Docking, Molecular …
N Khamto, K Utama, S Tateing… - Journal of Chemical …, 2023 - ACS Publications
The emergence of SARS-CoV-2 in December 2019 has become a global issue due to the
continuous upsurge in patients and the lack of drug efficacy for treatment. SARS-CoV-2 …
continuous upsurge in patients and the lack of drug efficacy for treatment. SARS-CoV-2 …
[HTML][HTML] In Silico Screening of Plant-Derived Anti-virals from Shorea hemsleyana (King) King ex Foxw Against SARS CoV-2 Main Protease
Abstract Shorea hemsleyana (King) King ex Foxw is used to treat various ailments in
humans. Numerous biological activities have been reported previously. The current study …
humans. Numerous biological activities have been reported previously. The current study …
[HTML][HTML] Ilimaquinone (marine sponge metabolite) as a novel inhibitor of SARS-CoV-2 key target proteins in comparison with suggested COVID-19 drugs: designing …
The outbreak of novel coronavirus, SARS-CoV-2, has infected more than 36 million people
and caused approximately 1 million deaths around the globe as of 9 October 2020. The …
and caused approximately 1 million deaths around the globe as of 9 October 2020. The …
Structure-based virtual screening of novel natural products as chalcone derivatives against SARS-CoV-2 Mpro
A El Aissouq, M Bouachrine, L Bouayyadi… - Journal of …, 2023 - Taylor & Francis
Abstract Coronavirus disease 2019 (COVID-19), which is caused by SARS-CoV-2, has
spread quickly around the world, causing a global pandemic. It has infected more than 500 …
spread quickly around the world, causing a global pandemic. It has infected more than 500 …
[HTML][HTML] Amentoflavone derivatives significantly act towards the main protease (3CLPRO/MPRO) of SARS-CoV-2: in silico admet profiling, molecular docking …
SARS-CoV-2 is the foremost culprit of the novel coronavirus disease 2019 (nCoV-19 and/or
simply COVID-19) and poses a threat to the continued life of humans on the planet and …
simply COVID-19) and poses a threat to the continued life of humans on the planet and …