[HTML][HTML] Targetable elements in SARS-CoV-2 S2 subunit for the design of pan-coronavirus fusion inhibitors and vaccines
L Guo, S Lin, Z Chen, Y Cao, B He, G Lu - Signal Transduction and …, 2023 - nature.com
The ongoing global pandemic of coronavirus disease 2019 (COVID-19), caused by severe
acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), has caused devastating impacts …
acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), has caused devastating impacts …
[HTML][HTML] 1, 2-Dibenzoylhydrazine as a multi-inhibitor compound: A morphological and docking study
In the framework of the multitarget inhibitor study, we report an in silico analysis of 1, 2-
dibenzoylhydrazine (DBH) with respect to three essential receptors such as the ecdysone …
dibenzoylhydrazine (DBH) with respect to three essential receptors such as the ecdysone …
[HTML][HTML] Heparan sulfate and enoxaparin interact at the interface of the spike protein of HCoV-229E but not with HCoV-OC43
It is known that the spike protein of human coronaviruses can bind to a secondary receptor,
or coreceptor, to facilitate the virus entry. While HCoV-229E uses human aminopeptidase N …
or coreceptor, to facilitate the virus entry. While HCoV-229E uses human aminopeptidase N …
[HTML][HTML] Identification of potential lead compounds targeting novel druggable cavity of SARS-CoV-2 spike trimer by molecular dynamics simulations
Y Zhao, Y Zhao, L Xie, Q Li, Y Zhang, Y Zang… - International Journal of …, 2023 - mdpi.com
The global pandemic of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
has become an urgent public health problem. Spike (S) protein mediates the fusion between …
has become an urgent public health problem. Spike (S) protein mediates the fusion between …
[HTML][HTML] Mapping IgA Epitope and Cross-Reactivity between Severe Acute Respiratory Syndrome-Associated Coronavirus 2 and DENV
SG De-Simone, P Napoleão-Pêgo, GC Lechuga… - Vaccines, 2023 - mdpi.com
Background: The newly introduced COVID-19 vaccines have reduced disease severity and
hospitalizations. However, they do not significantly prevent infection or transmission. In the …
hospitalizations. However, they do not significantly prevent infection or transmission. In the …
[HTML][HTML] How can artificial intelligence be utilized for de novo drug design against COVID-19 (SARS-CoV-2)?
The COVID-19 virus was first identified in Wuhan, China, in December 2019. On 11 March
2020, the World Health Organization declared the COVID-19 virus to be a pandemic. It …
2020, the World Health Organization declared the COVID-19 virus to be a pandemic. It …
[HTML][HTML] Steered Molecular Dynamics Simulations Study on FABP4 Inhibitors
Ordinary small molecule de novo drug design is time-consuming and expensive. Recently,
computational tools were employed and proved their efficacy in accelerating the overall drug …
computational tools were employed and proved their efficacy in accelerating the overall drug …
Selective noncovalent proteasome inhibiting activity of trifluoromethyl‐containing gem‐quaternary aziridines
The ubiquitin‐proteasome pathway (UPP) represents the principal proteolytic apparatus in
the cytosol and nucleus of all eukaryotic cells. Nowadays, proteasome inhibitors (PIs) are …
the cytosol and nucleus of all eukaryotic cells. Nowadays, proteasome inhibitors (PIs) are …
Design, synthesis, in vitro evaluation, and molecular modeling studies of N‐substituted benzomorphans, analogs of LP2, as novel MOR ligands
G Costanzo, V Patamia, R Turnaturi… - Chemical Biology & …, 2023 - Wiley Online Library
Benzomorphans have been investigated in medicinal chemistry for developing new drugs.
This nucleus could be considered a versatile scaffold. The physicochemical properties of …
This nucleus could be considered a versatile scaffold. The physicochemical properties of …
γ‐Cyclodextrins as Supramolecular Reactors for the Three‐component Aza‐Darzens Reaction in Water
In recent decades, many efforts have been devoted to studying reactions catalyzed in
nanoconfined spaces. The most impressive aspect of catalysis in nanoconfined spaces is …
nanoconfined spaces. The most impressive aspect of catalysis in nanoconfined spaces is …