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 …
Molecular Docking and Molecular Dynamics Simulations in Related to Leishmania donovani: An Update and Literature Review
MR Challapa-Mamani, E Tomás-Alvarado… - Tropical Medicine and …, 2023 - mdpi.com
Leishmaniasis, a disease caused by Leishmania parasites and transmitted via sandflies,
presents in two main forms: cutaneous and visceral, the latter being more severe. With 0.7 to …
presents in two main forms: cutaneous and visceral, the latter being more severe. With 0.7 to …
In silico and in vitro studies for benzimidazole anthelmintics repurposing as VEGFR-2 antagonists: novel mebendazole-loaded mixed micelles with enhanced …
Cancer is a leading cause of death worldwide and its incidence is unfortunately anticipated
to rise in the next years. On the other hand, vascular endothelial growth factor receptor 2 …
to rise in the next years. On the other hand, vascular endothelial growth factor receptor 2 …
Investigating the structure–activity relationship of marine natural polyketides as promising SARS-CoV-2 main protease inhibitors
Since its first report in December 2019, the novel coronavirus virus, SARS-CoV-2, has
caused an unprecedented global health crisis and economic loss imposing a tremendous …
caused an unprecedented global health crisis and economic loss imposing a tremendous …
β-Blockers bearing hydroxyethylamine and hydroxyethylene as potential SARS-CoV-2 Mpro inhibitors: Rational based design, in silico, in vitro, and SAR studies for …
The global COVID-19 pandemic became more threatening especially after the introduction
of the second and third waves with the current large expectations for a fourth one as well …
of the second and third waves with the current large expectations for a fourth one as well …
Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics …
Dysregulation of the discoidin domain receptor (DDR1), a collagen-activated receptor
tyrosine kinase, has been linked to several human cancer diseases including non-small cell …
tyrosine kinase, has been linked to several human cancer diseases including non-small cell …
[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 …
In silico discovery of multi-targeting inhibitors for the COVID-19 treatment by molecular docking, molecular dynamics simulation studies, and ADMET predictions
Abstract Coronavirus disease-2019 (COVID-19), a global pandemic, has currently infected
more than 247 million people around the world. Nowadays, several receptors of COVID-19 …
more than 247 million people around the world. Nowadays, several receptors of COVID-19 …
Repurposing α-Adrenoreceptor Blockers as Promising Anti-Virulence Agents in Gram-Negative Bacteria
Antimicrobial resistance is among the world's most urgent public health problems.
Diminishing of the virulence of bacteria is a promising approach to decrease the …
Diminishing of the virulence of bacteria is a promising approach to decrease the …
Hiring of the Anti-Quorum Sensing Activities of Hypoglycemic Agent Linagliptin to Alleviate the Pseudomonas aeruginosa Pathogenesis
MT Khayat, TS Ibrahim, KM Darwish, AN Khayyat… - Microorganisms, 2022 - mdpi.com
Bacteria communicate with each other using quorum sensing (QS) which works in an
inducer/receptor manner. QS plays the main role in orchestrating diverse bacterial virulence …
inducer/receptor manner. QS plays the main role in orchestrating diverse bacterial virulence …