Structure-based drug design strategies and challenges

X Wang, K Song, L Li, L Chen - Current Topics in Medicinal …, 2018 - benthamdirect.com
Over the past ten years, the number of three-dimensional protein structures identified by
advanced science and technology increases, and the gene information becomes more …

Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors

WB Cardoso, SA Mendanha - Journal of molecular structure, 2021 - Elsevier
In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible
repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular …

Fabrication of the polyphosphates patched cellulose sulfate-chitosan hydrochloride microcapsules and as vehicles for sustained drug release

T Su, QX Wu, Y Chen, J Zhao, XD Cheng… - International Journal of …, 2019 - Elsevier
Polyphosphates are important polyanionic electrolytes that play a major role in stabilization
and consolidation of colloids surface and interior microstructures. In this study, the …

Correlation intensity index-index of ideality of correlation: a hyphenated target function for furtherance of MAO-B inhibitory activity assessment

S Kumar, P Kumar, A Kumar - Computational Biology and Chemistry, 2024 - Elsevier
Monoamine oxidases are the enzymes involved in the management of brain homeostasis
through oxidative deamination of monoamines such as neurotransmitters, tyramine etc. The …

In silico design and pharmacokinetics investigation of some novel hepatitis C virus NS5B inhibitors: pharmacoinformatics approach

S Ejeh, A Uzairu, GA Shallangwa, SE Abechi… - Bulletin of the National …, 2022 - Springer
Abstract Background Hepatitis C virus (HCV) is a contagious disease that damages the liver
over time, eventually leading to cirrhosis and death. Chronic HCV infection is regarded as a …

In-silico study: docking simulation and molecular dynamics of peptidomimetic fullerene-based derivatives against SARS-CoV-2 Mpro

NA Saleh - 3 Biotech, 2023 - Springer
COVID-19 is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2, has
become a global pandemic resulting in significant morbidity and mortality. This study …

Structure-based design, drug-likeness, and pharmacokinetic studies of novel substituted pyrimidine derivatives as potent HCV NS3/A4 protease inhibitors

S Ejeh, A Uzairu, GA Shallangwa, SE Abechi… - Biocatalysis and …, 2022 - Elsevier
Hepatitis C virus (HCV) infection promotes death rates all over the world. HCV infection is
considered a drastic health problem over the world, affecting up to 3% of the population …

Novel inhibitors against wild-type and mutated HCV NS3 serine protease: an in silico study

AA Ezat, AA Elfiky, WM Elshemey, NA Saleh - VirusDisease, 2019 - Springer
In 2011, the FDA approved boceprevir as a hepatitis C virus (HCV) NS3 serine protease
inhibitor. The sustained virological response rate for treatment with this approved compound …

Pharmacoinformatics-based strategy in designing and profiling of some Pyrazole analogues as novel hepatitis C virus inhibitors with pharmacokinetic analysis

S Ejeh, A Uzairu, GA Shallangwa… - Egyptian Journal of …, 2023 - Taylor & Francis
Hepatitis C virus (HCV) infection promotes death rates all over the world. Sofosbuvir is a
standard drug for the cure of HCV but unfortunately, it receives a lot of attention for its pricing …

[PDF][PDF] Comparison of antiviral effect of camel lactoferrin peptide (CLF36) and new generation drugs against hepatitis C virus

M Azghandi, M Tahmoorespur… - Agricultural …, 2022 - academia.edu
Objective Hepatitis C infection is one of the most common chronic infectious diseases in the
world and about 3-5 million people are infected with this infection annually. Unfortunately …