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Pyrazolopyridine: An efficient pharmacophore in recent drug design and development
D Atukuri - Chemical Biology & Drug Design, 2022 - Wiley Online Library
Among the various heterocyclic molecules employed for drug design and discovery,
pyrazolopyridine is one of the promising pharmacophores. Pyrazolopyridine is a result of …
pyrazolopyridine is one of the promising pharmacophores. Pyrazolopyridine is a result of …
A review: Biological activities of novel cyanopyridine derivatives
Y Wu, T Wu, Y Huang - Archiv der Pharmazie, 2023 - Wiley Online Library
The discovery of new therapeutic drugs is heavily reliant on the structural diversity and
pharmacological properties of heterocyclic compounds. Pyridine heterocyclic‐related …
pharmacological properties of heterocyclic compounds. Pyridine heterocyclic‐related …
Discovery of pyrazolo [3, 4-d] pyrimidine and pyrazolo [4, 3-e][1, 2, 4] triazolo [1, 5-c] pyrimidine derivatives as novel CDK2 inhibitors: synthesis, biological and …
CDK2 inhibition is an appealing target for cancer treatment that targets tumor cells in a
selective manner. A new set of small molecules featuring the privileged pyrazolo [3, 4-d] …
selective manner. A new set of small molecules featuring the privileged pyrazolo [3, 4-d] …
A general picture of cucurbit [8] uril host–guest binding
Describing, understanding, and designing complex interaction networks within
macromolecular systems remain challenging in modern chemical research. Host–guest …
macromolecular systems remain challenging in modern chemical research. Host–guest …
Binding selectivity-dependent molecular mechanism of inhibitors towards CDK2 and CDK6 investigated by multiple short molecular dynamics and free energy …
L Wang, D Lu, Y Wang, X Xu, P Zhong… - Journal of Enzyme …, 2023 - Taylor & Francis
Understanding selectivity-dependent molecular mechanism of inhibitors towards CDK2 over
CDK6 is prominent for improving drug design towards the CDK family. Multiple short …
CDK6 is prominent for improving drug design towards the CDK family. Multiple short …
Synthesis, biological evaluation, and in silico studies of new CDK2 inhibitors based on pyrazolo[3,4-d]pyrimidine and pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine …
Cyclin-dependent kinase inhibition is considered a promising target for cancer treatment for
its crucial role in cell cycle regulation. Pyrazolo pyrimidine derivatives were well established …
its crucial role in cell cycle regulation. Pyrazolo pyrimidine derivatives were well established …
[HTML][HTML] Synthesis, in-silico studies, and biological evaluation of some novel 3-thiazolyl-indoles as CDK2–inhibitors
The essential enzyme cyclin-dependent kinase 2 (CDK2) is a promising target for anticancer
drug development due to its pivotal role in regulating the cell cycle. This study aimed to …
drug development due to its pivotal role in regulating the cell cycle. This study aimed to …
Unveiling Conformational States of CDK6 Caused by Binding of Vcyclin Protein and Inhibitor by Combining Gaussian Accelerated Molecular Dynamics and Deep …
CDK6 plays a key role in the regulation of the cell cycle and is considered a crucial target for
cancer therapy. In this work, conformational transitions of CDK6 were identified by using …
cancer therapy. In this work, conformational transitions of CDK6 were identified by using …
[HTML][HTML] Molecular modelling of ionic liquids: General guidelines on fixed-charge force fields for balanced descriptions
It has been increasingly common to investigate dynamic and thermodynamic properties of
green solvents at atomistic scales with molecular simulation. In this work, we present a …
green solvents at atomistic scales with molecular simulation. In this work, we present a …
[HTML][HTML] Discovery of new pyrazolopyridine, furopyridine, and pyridine derivatives as CDK2 inhibitors: Design, synthesis, docking studies, and anti-proliferative activity
New pyridine, pyrazoloyridine, and furopyridine derivatives substituted with naphthyl and
thienyl moieties were designed and synthesized starting from 6-(naphthalen-2-yl)-2-oxo-4 …
thienyl moieties were designed and synthesized starting from 6-(naphthalen-2-yl)-2-oxo-4 …