[HTML][HTML] An overview of potential inhibitors targeting non-structural proteins 3 (PLpro and Mac1) and 5 (3CLpro/Mpro) of SARS-CoV-2
F Yan, F Gao - Computational and structural biotechnology journal, 2021 - Elsevier
There is an urgent need to develop effective treatments for coronavirus disease 2019
(COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS …
(COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS …
[HTML][HTML] Modern drug discovery applications for the identification of novel candidates for COVID-19 infections
In early December 2019, a large pneumonia epidemic occurred in Wuhan, China. The World
Health Organization is concerned about the outbreak of another coronavirus with the …
Health Organization is concerned about the outbreak of another coronavirus with the …
Designing of a multi-epitope vaccine against the structural proteins of marburg virus exploiting the immunoinformatics approach
Marburg virus disease (MVD) caused by the Marburg virus (MARV) generally appears with
flu-like symptoms and leads to severe hemorrhagic fever. It spreads via direct contact with …
flu-like symptoms and leads to severe hemorrhagic fever. It spreads via direct contact with …
[HTML][HTML] Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study
The recent coronavirus outbreak has changed the world's economy and health sectors due
to the high mortality and transmission rates. Because the development of new effective …
to the high mortality and transmission rates. Because the development of new effective …
Plant-based phytochemical screening by targeting main protease of SARS-CoV-2 to design effective potent inhibitors
Simple Summary Virtual screening schemes, including molecular docking in conjunction
with molecular dynamics simulation, were accomplished, as they extend an ample …
with molecular dynamics simulation, were accomplished, as they extend an ample …
Synthesis, antimicrobial, anticancer, PASS, molecular docking, molecular dynamic simulations & pharmacokinetic predictions of some methyl β-D-galactopyranoside …
A series of methyl β-D-galactopyranoside (MGP, 1) analogs were selectively acylated with
cinnamoyl chloride in anhydrous N, N-dimethylformamide/triethylamine to yield 6-O …
cinnamoyl chloride in anhydrous N, N-dimethylformamide/triethylamine to yield 6-O …
Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics …
Carbohydrate esters are significant in medicinal chemistry because of their efficacy for the
synthesis of biologically active drugs. In the present study, methyl β-D-galactopyranoside …
synthesis of biologically active drugs. In the present study, methyl β-D-galactopyranoside …
Potential antifungal activity of novel carbohydrate derivatives validated by POM, molecular docking and molecular dynamic simulations analyses
Our current study focuses on the molecular structures of the series of methyl 4, 6-O-
benzylidene-α-D-glucopyranoside 1–9 as potential antifungal agents to obtain more insight …
benzylidene-α-D-glucopyranoside 1–9 as potential antifungal agents to obtain more insight …
[HTML][HTML] Physicochemical, spectral, molecular docking and ADMET studies of Bisphenol analogues; A computational approach
Bisphenols are widely used in polymer and packaging industries. But they are
contaminating the environment and food chain by degradation, particularly affecting to the …
contaminating the environment and food chain by degradation, particularly affecting to the …
Cell-Free Supernatants (CFSs) from the Culture of Bacillus subtilis Inhibit Pseudomonas sp. Biofilm Formation
Biofilm inhibition has been identified as a novel drug target for the development of broad-
spectrum antibiotics to combat infections caused by drug-resistant bacteria. Although …
spectrum antibiotics to combat infections caused by drug-resistant bacteria. Although …