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The reverse fluorine Perlin-like effect and related stereoelectronic interactions
(American Chemical Society (ACS), 2020)
Detailed characterization of the cooperative binding of piperine with heat shock protein 70 by molecular biophysical approaches
(2020-12-01)
In this work, for the first time, details of the complex formed by heat shock protein 70 (HSP70) independent nucleotide binding domain (NBD) and piperine were characterized through experimental and computational molecular ...
Methylpiperidinium Iodides as novel antagonists for alpha 7 nicotinic acetylcholine receptors
(Frontiers Media, 2018)
The alpha 7 nicotinic acetylcholine receptor (nAChR) is expressed in neuronal and non-neuronal cells and is involved in several physiopathological processes, and is thus an important drug target. We have designed and ...
Molecular interaction and inhibition of SARS-CoV-2 binding to the ACE2 receptor
Study of the interactions established between the viral glycoproteins and their host
receptors is of critical importance for a better understanding of virus entry into cells. The
novel coronavirus SARS-CoV-2 entry into ...
Molecular interactions between Pluronic F127 and the peptide tritrpticin in aqueous solution
(2018-04-01)
Triblock copolymers, such as Pluronic F127 (F127), are pharmaceutically important amphiphilic compounds that self-assemble in aqueous solution either as discrete or entangled micelles, depending on their concentration and ...
Molecular modeling of Trypanosoma cruzi glutamate cysteine ligase and investigation of its interactions with glutathione
(2012)
Trypanosoma cruzi glutamate cysteine ligase (TcGCL) is considered a potential drug target to develop novel antichagasic drugs. We have used a variety of computational methods to investigate the interactions between TcGCL ...
In silico prediction of P-glycoprotein binding: Insights from molecular docking studies
(Bentham Science Publishers, 2019)