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 …

Antiviral phytocompounds “ellagic acid” and “(+)-sesamin” of Bridelia retusa identified as potential inhibitors of SARS-CoV-2 3CL pro using extensive molecular …

AK Umar, JH Zothantluanga, K Aswin, S Maulana… - Structural …, 2022 - Springer
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 …

In silico identification of new anti-SARS-CoV-2 agents from bioactive phytocompounds targeting the viral spike glycoprotein and human TLR4

NC Das, RK Labala, R Patra… - Letters in Drug …, 2022 - ingentaconnect.com
Background: The recent outbreak of novel coronavirus disease (COVID-19) pandemic
caused by SARS-CoV-2 has posed a tremendous threat to mankind. The unavailability of a …

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 …

Plant derived active compounds as potential anti SARS-CoV-2 agents: an in-silico study

D Kashyap, S Jakhmola, D Tiwari… - Journal of …, 2022 - Taylor & Francis
Plants are a valued potential source of drugs for a variety of diseases and are often
considered less toxic to humans. We investigated antiviral compounds that may potentially …

[PDF][PDF] Molecular docking simulation studies, toxicity study, bioactivity prediction, and structure-activity relationship reveals rutin as a potential inhibitor of SARS-CoV-2 …

JH Zothantluanga - J. Sci. Res, 2021 - researchgate.net
Coronavirus disease 2019 (COVID-19) pandemic has infected billions and has killed
millions of people. Despite the advancement in drugs and vaccines, the COVID-19 …

Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development

P Pandey, JS Rane, A Chatterjee, A Kumar… - Journal of …, 2021 - Taylor & Francis
Spike glycoprotein, a class I fusion protein harboring the surface of SARS-CoV-2 (SARS-
CoV-2S), plays a seminal role in the viral infection starting from recognition of the host cell …

Secondary metabolites from spice and herbs as potential multitarget inhibitors of SARS-CoV-2 proteins

S Gupta, V Singh, PK Varadwaj… - Journal of …, 2022 - Taylor & Francis
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been responsible for
the current global pandemic that has caused a death toll of> 1.12 million worldwide and …

Anti-HIV-drug and phyto-flavonoid combination against SARS-CoV-2: a molecular docking-simulation base assessment

SS Swain, SR Singh, A Sahoo… - Journal of Biomolecular …, 2022 - Taylor & Francis
At the health emergence, no such potent prophylactic therapy is available to control the
deadly emerged Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) …

Molecular Docking and Dynamics Simulation Study of Hyrtios erectus Isolated Scalarane Sesterterpenes as Potential SARS-CoV-2 Dual Target Inhibitors

SS Elhady, RFA Abdelhameed, RT Malatani… - Biology, 2021 - mdpi.com
Simple Summary The ongoing coronavirus disease-2019 (COVID-19) pandemic shows
unprecedented challenges for the worldwide healthcare system. Despite the large clinical …