Investigation of Some Antiviral N-Heterocycles as COVID 19 Drug: Molecular Docking and DFT Calculations
The novel coronavirus, COVID-19, caused by SARS-CoV-2, is a global health pandemic that
started in December 2019. The effective drug target among coronaviruses is the main …
started in December 2019. The effective drug target among coronaviruses is the main …
[HTML][HTML] DFT and molecular docking study of chloroquine derivatives as antiviral to coronavirus COVID-19
O Noureddine, N Issaoui, O Al-Dossary - Journal of King Saud University …, 2021 - Elsevier
The recently emerged COVID-19 virus caused hundreds of thousands of deaths and
instigated a widespread fear, threatening the world's most advanced health security. In …
instigated a widespread fear, threatening the world's most advanced health security. In …
In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2
The global health emergency of novel COVID-19 is due to severe acute respiratory
syndrome coronavirus-2 (SARS-CoV-2). Currently there are no approved drugs for the …
syndrome coronavirus-2 (SARS-CoV-2). Currently there are no approved drugs for the …
DFT and MD simulation investigation of favipiravir as an emerging antiviral option against viral protease (3CLpro) of SARS-CoV-2
P Yadav, M Rana, P Chowdhury - Journal of Molecular Structure, 2021 - Elsevier
As per date, around 20 million COVID-19 cases reported from across the globe due to a tiny
125 nm sized virus: SARS-CoV-2 which has created a pandemic and left an unforgettable …
125 nm sized virus: SARS-CoV-2 which has created a pandemic and left an unforgettable …
Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of …
The RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 is one of the optimum targets
for antiviral drug design and development. The hydroxyl groups of cytidine structures were …
for antiviral drug design and development. The hydroxyl groups of cytidine structures were …
Molecular dynamics simulation, QSAR, DFT, molecular docking, ADMET, and synthesis of ethyl 3-((5-Bromopyridin-2-yl) Imino) butanoate analogues as potential …
Abstract Structural modifications of ethyl-3-((5-bromopyridin-2-yl) imino) butanoate ester
enhances its biological activities. In the present work, the synthesis of a Schiff base by …
enhances its biological activities. In the present work, the synthesis of a Schiff base by …
Identification of natural inhibitors against prime targets of SARS-CoV-2 using molecular docking, molecular dynamics simulation and MM-PBSA approaches
The recently emerged COVID-19 has been declared a pandemic by the World Health
Organization as to date; no therapeutic drug/vaccine is available for the treatment. Due to …
Organization as to date; no therapeutic drug/vaccine is available for the treatment. Due to …
[HTML][HTML] Combined docking methods and molecular dynamics to identify effective antiviral 2, 5-diaminobenzophenonederivatives against SARS-CoV-2
The aim of this work is to contribute to the research in finding lead compounds for clinical
use, to identify new drugs that target the SARS-CoV-2 virus main protease (Mpro). In this …
use, to identify new drugs that target the SARS-CoV-2 virus main protease (Mpro). In this …
[HTML][HTML] Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19 …
O Noureddine, N Issaoui, M Medimagh… - Journal of King Saud …, 2021 - Elsevier
Abstract Structure− activity relationships for hydroxychloroquine compound and its
derivatives resulted in a potent antiviral activity. Where hydroxychloroquine derivatives …
derivatives resulted in a potent antiviral activity. Where hydroxychloroquine derivatives …
[PDF][PDF] Virtual screening, molecular docking studies and DFT calculations of FDA approved compounds similar to the non-nucleoside reverse transcriptase inhibitor …
MA Jordaan, O Ebenezer, N Damoyi, M Shapi - Heliyon, 2020 - cell.com
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was confirmed as the
causative virus of COVID-19 disease, which is currently a worldwide pandemic. Efavirenz, a …
causative virus of COVID-19 disease, which is currently a worldwide pandemic. Efavirenz, a …
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