Quantum and Classical Evaluations of Carboxylic Acid Bioisosteres: From Capped Moieties to a Drug Molecule
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c05708
Abstract: Using the Quantum Theory of Atoms in Molecules, the average electron density (AED) tool was developed and employed to quantitatively evaluate the similarities between bioisosteric moieties in drug design. Bioisosteric replacements are valuable in drug… read more here.
Keywords: carboxylic acid; aed tool; moieties drug; drug molecule ... See more keywords
Stimuli-responsive local drug molecule delivery to adhered cells in a 3D nanocomposite scaffold
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Materials Chemistry B"
DOI: 10.1039/c9tb00591a
Abstract: pH-Responsive nanocomposite hydrogels deliver high dosages of drug to cancer cells while delivering less of the drug to healthy cells. read more here.
Keywords: drug molecule; responsive local; drug; local drug ... See more keywords
Crystal structure analysis of the biologically active drug molecule riluzole and riluzolium chloride
Sign Up to like & getrecommendations! Published in 2019 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989019009022
Abstract: An investigation into the crystallization, crystal structure and packing analysis of the biologically active drug molecule riluzole and its derivative, the riluzolium chloride salt, has been carried out. read more here.
Keywords: drug molecule; active drug; biologically active; molecule riluzole ... See more keywords
Targets preliminary screening for the fresh natural drug molecule based on Cosine-correlation and similarity-comparison of local network
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Translational Medicine"
DOI: 10.1186/s12967-022-03279-w
Abstract: Background Chinese herbal medicine is made up of hundreds of natural drug molecules and has played a major role in traditional Chinese medicine (TCM) for several thousand years. Therefore, it is of great significance to… read more here.
Keywords: drug; fresh natural; medicine; natural drug ... See more keywords