Fourteen immunomodulatory alkaloids and two prenylated phenylpropanoids with dual therapeutic approach for COVID-19: molecular docking and dynamics studies
The pandemic outbreak of COVID-19 caused by the new severe acute respiratory syndrome
coronavirus (SARS-CoV-2) is a global health burden. To date, there is no highly effective …
coronavirus (SARS-CoV-2) is a global health burden. To date, there is no highly effective …
[HTML][HTML] In silico molecular docking: Evaluation of coumarin based derivatives against SARS-CoV-2
Background The unique anthropological coronavirus which has been titled as SARS-CoV-2
was originally arisen in late 2019 in Wuhan, China affecting respiratory infection named as …
was originally arisen in late 2019 in Wuhan, China affecting respiratory infection named as …
[HTML][HTML] Development of effective therapeutic molecule from natural sources against coronavirus protease
The SARS-CoV-2 main protease (Mpro) is one of the molecular targets for drug design.
Effective vaccines have been identified as a long-term solution but the rate at which they are …
Effective vaccines have been identified as a long-term solution but the rate at which they are …
Discovery of New Hydroxyethylamine Analogs against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure …
The novel coronavirus, SARS-CoV-2, has caused a recent pandemic called COVID-19 and
a severe health threat around the world. In the current situation, the virus is rapidly …
a severe health threat around the world. In the current situation, the virus is rapidly …
[Retracted] Computational Study on the Inhibitory Effect of Natural Compounds against the SARS‐CoV‐2 Proteins
JM Jayaraj, M Jothimani, CP Palanisamy… - Bioinorganic …, 2022 - Wiley Online Library
COVID‐19 is more virulent and challenging to human life. In India, the Ministry of AYUSH
recommended some strategies through Siddha, homeopathy, and other methods to …
recommended some strategies through Siddha, homeopathy, and other methods to …
[HTML][HTML] In silico analysis for the repurposing of broad-spectrum antiviral drugs against multiple targets from SARS-CoV-2: A molecular docking and ADMET approach
Background: Amidst the second wave of COVID-19 pandemic caused by severe acute
respiratory syndrome coronavirus-2 (SARS-CoV-2) led the world devastated, and resulted in …
respiratory syndrome coronavirus-2 (SARS-CoV-2) led the world devastated, and resulted in …
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 …
as potential inhibitors of SARS-CoV-2-3CL main protease (PDB ID: 6LU7) and SARS-CoV …
Computational investigation of potential inhibitors of novel coronavirus 2019 through structure-based virtual screening, molecular dynamics and density functional …
Despite the intensive research efforts towards antiviral drug against COVID-19, no potential
drug or vaccines has not yet discovered. Initially, the binding site of COVID-19 main …
drug or vaccines has not yet discovered. Initially, the binding site of COVID-19 main …
In silico screening of some anti-cancer drugs against the main protease of COVID-19 using molecular docking
L Ouni, A Ramazani - Letters in Organic Chemistry, 2023 - ingentaconnect.com
The SARS-CoV-2 pandemic has led to major worldwide health concerns. Design and
detection of effective drugs and adjuvant therapies to treat COVID-19 disease in the shortest …
detection of effective drugs and adjuvant therapies to treat COVID-19 disease in the shortest …
[HTML][HTML] Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking, MD simulation and binding energy calculation
Abstract Papain-like protease (nsp-3; non-structural protein) of novel corona virus is an ideal
target for developing drugs as it plays multiple important functions for viral growth and …
target for developing drugs as it plays multiple important functions for viral growth and …