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Small molecules under development for psoriasis: on the road to the individualized therapies
CD Claudia, VH María-Elena, VE Josué… - Archives of …, 2020 - Springer
Psoriasis is an incurable cutaneous illness characterized by the presence of well-delimited
reddish plaques and silvery-white dry scales. So far, there is a limited understanding of its …
reddish plaques and silvery-white dry scales. So far, there is a limited understanding of its …
Optimization of covalent docking for organophosphates interaction with Anopheles acetylcholinesterase
TA Rants'o, CJ Van der Westhuizen… - Journal of Molecular …, 2022 - Elsevier
Organophosphates (OPs) used as potent insecticides for malaria vector control, covalently
phosphorylate the catalytic serine residue of Anopheles gambiae AChE (Ag AChE) in a …
phosphorylate the catalytic serine residue of Anopheles gambiae AChE (Ag AChE) in a …
Upregulation of cathepsin S in psoriatic keratinocytes
A Schönefuß, W Wendt, B Schattling… - Experimental …, 2010 - Wiley Online Library
Please cite this paper as: Upregulation of cathepsin S in psoriatic keratinocytes.
Experimental Dermatology 2010; 19: e80–e88. Abstract: Cathepsin S (CATS) is a cysteine …
Experimental Dermatology 2010; 19: e80–e88. Abstract: Cathepsin S (CATS) is a cysteine …
Calculate protein–ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3
We participated in the Cathepsin S (CatS) sub-challenge of the Drug Design Data Resource
(D3R) Grand Challenge 3 (GC3) in 2017 to blindly predict the binding poses of 24 CatS …
(D3R) Grand Challenge 3 (GC3) in 2017 to blindly predict the binding poses of 24 CatS …
Molecular modeling assisted identification and biological evaluation of potent cathepsin S inhibitors
Cathepsin S (CatS) is one of the cysteinyl cathepsins widely studied for its clinical
significance and found to be a promising therapeutic target for several diseases; to name a …
significance and found to be a promising therapeutic target for several diseases; to name a …
CovaDOTS: In Silico Chemistry-Driven Tool to Design Covalent Inhibitors Using a Linking Strategy
We recently reported an integrated fragment-based optimization strategy called DOTS
(Diversity Oriented Target-focused Synthesis) that combines automated virtual screening …
(Diversity Oriented Target-focused Synthesis) that combines automated virtual screening …
Redox-based inactivation of cysteine cathepsins by compounds containing the 4-aminophenol moiety
Background Redox cycling compounds have been reported to cause false positive inhibition
of proteases in drug discovery studies. This kind of false positives can lead to unusually high …
of proteases in drug discovery studies. This kind of false positives can lead to unusually high …
Design, synthesis, and potency of pyruvate dehydrogenase complex E1 inhibitors against cyanobacteria
Y Zhou, J Feng, H He, L Hou, W Jiang, D **e… - Biochemistry, 2017 - ACS Publications
Safe and effective algaecides are needed to control agriculturally and environmentally
significant algal species. Four series (6, 10, 17, and 21) of 29 novel 4-aminopyrimidine …
significant algal species. Four series (6, 10, 17, and 21) of 29 novel 4-aminopyrimidine …
Insights from molecular modeling into the selective inhibition of cathepsin S by its inhibitor
Cathepsin S has been demonstrated to play a crucial role in the remodeling of extracellular
matrix proteins such as elastin and collagen, which in turn contribute to the structural …
matrix proteins such as elastin and collagen, which in turn contribute to the structural …
Discovery of novel covalent proteasome inhibitors through a combination of pharmacophore screening, covalent docking, and molecular dynamics simulations
A Li, H Sun, L Du, X Wu, J Cao, Q You, Y Li - Journal of molecular …, 2014 - Springer
The ubiquitin–proteasome pathway plays a pivotal role in the regulation of cellular protein
processing and degradation. Proteasome inhibitors (PIs) have enormous potential to treat …
processing and degradation. Proteasome inhibitors (PIs) have enormous potential to treat …