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[HTML][HTML] Inhibition of the main protease of SARS-CoV-2 (Mpro) by repurposing/designing drug-like substances and utilizing nature's toolbox of bioactive compounds
The emergence of the Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2)
has resulted in a long pandemic, with numerous cases and victims worldwide and enormous …
has resulted in a long pandemic, with numerous cases and victims worldwide and enormous …
Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM/DFT/DNA-binding and pharmacokinetic analyses of …
SA Hassan, DM Aziz, MN Abdullah… - Journal of …, 2024 - Taylor & Francis
In this work, Schiff bases and Thiazolidin-4-ones, were synthesized using Sonication and
Microwave techniques, respectively. The Schiff base derivatives (3a–b) were synthesized …
Microwave techniques, respectively. The Schiff base derivatives (3a–b) were synthesized …
[HTML][HTML] In silico evaluation of Iranian medicinal plant phytoconstituents as inhibitors against main protease and the receptor-binding domain of SARS-CoV-2
The novel coronavirus disease 2019 (COVID-19) is caused by the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), which initially appeared in Wuhan, China, in …
syndrome coronavirus 2 (SARS-CoV-2), which initially appeared in Wuhan, China, in …
Natural flavonoids effectively block the CD81 receptor of hepatocytes and inhibit HCV infection: a computational drug development approach
Hepatitis C virus (HCV) infection is a major public health concern, and almost two million
people are infected per year globally. This is occurred by the diverse spectrum of viral …
people are infected per year globally. This is occurred by the diverse spectrum of viral …
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 …
Synthesis, antimicrobial, SAR, PASS, molecular docking, molecular dynamics and pharmacokinetics studies of 5′-O-uridine derivatives bearing acyl moieties: POM …
Because of their superior antibacterial and pharmacokinetic capabilities, many nucleoside-
based esters show potential against microorganisms, and may be used as pharmacological …
based esters show potential against microorganisms, and may be used as pharmacological …
A Computational Study on Selected Alkaloids as SARS‐CoV‐2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics …
Despite treatments and vaccinations, it remains difficult to develop naturally occurring
COVID‐19 inhibitors. Here, our main objective is to find potential lead compounds from the …
COVID‐19 inhibitors. Here, our main objective is to find potential lead compounds from the …
[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 …