Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Marina Shalaeva"'
Autor:
Gilles H. Goetz, Marina Shalaeva
Publikováno v:
ADMET and DMPK, Vol 6, Iss 2, Pp 85-104 (2018)
Applications of chromatography derived lipophilicity, polarity, and 3D concepts such as conformational states, exposed polarity and intramolecular hydrogen bonds (IMHB), are discussed along with recently developed methods for incorporating these conc
Externí odkaz:
https://doaj.org/article/ef69e60b50944dbaa548dfeb5f6c5e5f
Publikováno v:
Future Medicinal Chemistry. 11:1553-1563
Background: The development of zwitterions to a drug is likely to be more challenging than compounds of other charge types. Results: Two chromatographic indexes (log k′80 PLRP-S and log KWIAM) can be successfully used as permeability classifiers of
Aim: To set up a chromatographic strategy for the determination of log P for beyond Rule of 5 (bRo5) drugs. Materials & methods: Capacity factors measured by reverse phase-HPLC. Balance of intermolecular interactions governing systems assessed by par
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f80d1c778e38ad1870ec3e4670a8542
http://hdl.handle.net/2318/1725129
http://hdl.handle.net/2318/1725129
Publikováno v:
2018 Medicinal Chemistry Reviews ISBN: 9780996293266
2018 Medicinal Chemistry Reviews
2018 Medicinal Chemistry Reviews
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::14ca366b5cdc2d1d79ca16893c4dde7b
https://doi.org/10.29200/acsmedchemrev-v53.ch21
https://doi.org/10.29200/acsmedchemrev-v53.ch21
EPSA is an experimental descriptor of molecular polarity obtained from chromatographic retention in supercritical fluid chromatography (SFC) systems, previously shown by Goetz et al. to correlate with passive permeability of cyclic peptides. The pres
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d7bd3a9978b118f91640131b1c24e7f
http://hdl.handle.net/2318/1633102
http://hdl.handle.net/2318/1633102
Autor:
Gilles H. Goetz, Yuriy A. Abramov, Laurence Philippe, Marina Shalaeva, Giulia Caron, Maura Vallaro, Giuseppe Ermondi
Publikováno v:
Molecular pharmaceutics. 13(3)
This study describes the design and implementation of a new chromatographic descriptor called log k′80 PLRP-S that provides information about the lipophilicity of drug molecules in the nonpolar environment, both in their neutral and ionized form. T
Publikováno v:
Journal of Pharmaceutical Sciences. 97:2581-2606
Evaluation of a multiplexed capillary electrophoresis (CE) method for pK(a) measurements of organic compounds, including low solubility compounds, is presented. The method is validated on a set of 105 diverse compounds, mostly drugs, and results are
Publikováno v:
Molecular Drug Properties
Autor:
Rachel Coselmon, Saravanaraj Ayyampalayam, Marina Shalaeva, Pil H. Lee, Lionel A. Carreira, Salwa Poole, Shobha Bhattachar, Franco Lombardo, and Eric Gifford
Publikováno v:
Molecular Pharmaceutics. 4:498-512
Most pharmacologically active molecules contain one or more ionizing groups, and it is well-known that knowledge of the ionization state of a drug, indicated by the pKa value, is critical for understanding many properties important to the drug discov
Publikováno v:
Mini-Reviews in Medicinal Chemistry. 3:861-875
A critical review of a very recent work in the field of in silico ADME prediction is presented with emphasis on the work published during the period 2000-2002, and several other review articles are mentioned in order to offer a broader view of the fi