Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development
Spike glycoprotein, a class I fusion protein harboring the surface of SARS-CoV-2 (SARS-
CoV-2S), plays a seminal role in the viral infection starting from recognition of the host cell …
CoV-2S), plays a seminal role in the viral infection starting from recognition of the host cell …
Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach
MA Ejalonibu, SA Ogundare, AA Elrashedy… - International Journal of …, 2021 - mdpi.com
Developing new, more effective antibiotics against resistant Mycobacterium tuberculosis that
inhibit its essential proteins is an appealing strategy for combating the global tuberculosis …
inhibit its essential proteins is an appealing strategy for combating the global tuberculosis …
Targeting a highly conserved domain in bacterial histidine kinases to generate inhibitors with broad spectrum activity
CA Fihn, EE Carlson - Current opinion in microbiology, 2021 - Elsevier
Highlights•CA domain of bacterial HKs presents a novel anti-virulence or antibiotic
target.•CA domain targeted molecules can inhibit multiple HKs, increasing effectiveness.• …
target.•CA domain targeted molecules can inhibit multiple HKs, increasing effectiveness.• …
Identification of potential inhibitors against SARS-CoV-2 by targeting proteins responsible for envelope formation and virion assembly using docking based virtual …
D Bhowmik, R Nandi, R Jagadeesan, N Kumar… - Infection, Genetics and …, 2020 - Elsevier
WHO has declared the outbreak of COVID-19 as a public health emergency of international
concern. The ever-growing new cases have called for an urgent emergency for specific anti …
concern. The ever-growing new cases have called for an urgent emergency for specific anti …
Identifying the natural polyphenol catechin as a multi-targeted agent against SARS-CoV-2 for the plausible therapy of COVID-19: an integrated computational …
The global pandemic crisis, coronavirus disease 2019 (COVID-19), caused by the severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has claimed the lives of millions of …
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has claimed the lives of millions of …
Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors
A Jimenez-Alberto, RM Ribas-Aparicio… - … biology and chemistry, 2020 - Elsevier
The global emergency caused by COVID-19 makes the discovery of drugs capable of
inhibiting SARS-CoV-2 a priority, to reduce the mortality and morbidity of this disease …
inhibiting SARS-CoV-2 a priority, to reduce the mortality and morbidity of this disease …
Neurological impairment is crucial for tire rubber-derived contaminant 6PPDQ-induced acute toxicity to rainbow trout
XL Liao, ZF Chen, SP Ou, QY Liu, SH Lin, JM Zhou… - Science Bulletin, 2024 - Elsevier
Abstract N-(1, 3-dimethylbutyl)-N′-phenyl-p-phenylenediamine quinone (6PPDQ) has
attracted significant attention due to its highly acute lethality to sensitive salmonids …
attracted significant attention due to its highly acute lethality to sensitive salmonids …
Insights into the biased activity of dextromethorphan and haloperidol towards SARS-CoV-2 NSP6: in silico binding mechanistic analysis
The outbreak of novel coronavirus disease 2019 (COVID-19) caused by severe acute
respiratory syndrome coronavirus-2 (SARS-CoV-2) virus continually led to infect a large …
respiratory syndrome coronavirus-2 (SARS-CoV-2) virus continually led to infect a large …
Mechanistic inhibition of gastric cancer-associated bacteria Helicobacter pylori by selected phytocompounds: A new cutting-edge computational approach
Background Helicobacter pylori (H. pylori) is a persistent bacterial inhabitant in the stomachs
of approximately half the global populace. This bacterium is directly linked to chronic …
of approximately half the global populace. This bacterium is directly linked to chronic …
The influence of N-alkyl chains in benzoyl-thiourea derivatives on urease inhibition: Soil studies and biophysical and theoretical investigations on the mechanism of …
MC Tavares, IJ dos Santos Nascimento… - Biophysical …, 2023 - Elsevier
Ureases are enzymes produced by fungi, plants, and bacteria associated with agricultural
and clinical problems. The urea hydrolysis in NH 3 and CO 2 leads to the loss of N-urea …
and clinical problems. The urea hydrolysis in NH 3 and CO 2 leads to the loss of N-urea …