Shalaeva M - Search Results

1

Use of 3D properties to characterize beyond rule-of-5 property space for passive permeation.

Guimarães CR, Mathiowetz AM, Shalaeva M, Goetz G, Liras S. Guimarães CR, et al. Among authors: shalaeva m. J Chem Inf Model. 2012 Apr 23;52(4):882-90. doi: 10.1021/ci300010y. Epub 2012 Mar 20. J Chem Inf Model. 2012. PMID: 22394163

2

Relationship between Passive Permeability and Molecular Polarity Using Block Relevance Analysis.

Goetz GH, Shalaeva M, Caron G, Ermondi G, Philippe L. Goetz GH, et al. Among authors: shalaeva m. Mol Pharm. 2017 Feb 6;14(2):386-393. doi: 10.1021/acs.molpharmaceut.6b00724. Epub 2017 Jan 17. Mol Pharm. 2017. PMID: 28035823

3

Updating the portfolio of physicochemical descriptors related to permeability in the beyond the rule of 5 chemical space.

Ermondi G, Vallaro M, Goetz G, Shalaeva M, Caron G. Ermondi G, et al. Among authors: shalaeva m. Eur J Pharm Sci. 2020 Apr 15;146:105274. doi: 10.1016/j.ejps.2020.105274. Epub 2020 Feb 20. Eur J Pharm Sci. 2020. PMID: 32088315

4

High throughput method for the indirect detection of intramolecular hydrogen bonding.

Goetz GH, Farrell W, Shalaeva M, Sciabola S, Anderson D, Yan J, Philippe L, Shapiro MJ. Goetz GH, et al. Among authors: shalaeva m. J Med Chem. 2014 Apr 10;57(7):2920-9. doi: 10.1021/jm401859b. Epub 2014 Mar 31. J Med Chem. 2014. PMID: 24641175

5

Integrating intramolecular hydrogen bonding (IMHB) considerations in drug discovery using ΔlogP as a tool.

Shalaeva M, Caron G, Abramov YA, O'Connell TN, Plummer MS, Yalamanchi G, Farley KA, Goetz GH, Philippe L, Shapiro MJ. Shalaeva M, et al. J Med Chem. 2013 Jun 27;56(12):4870-9. doi: 10.1021/jm301850m. Epub 2013 Jun 12. J Med Chem. 2013. PMID: 23710574

6

A Fast Chromatographic Method for Estimating Lipophilicity and Ionization in Nonpolar Membrane-Like Environment.

Caron G, Vallaro M, Ermondi G, Goetz GH, Abramov YA, Philippe L, Shalaeva M. Caron G, et al. Among authors: shalaeva m. Mol Pharm. 2016 Mar 7;13(3):1100-10. doi: 10.1021/acs.molpharmaceut.5b00910. Epub 2016 Feb 3. Mol Pharm. 2016. PMID: 26767433 Free article.

7

Prediction of volume of distribution values in humans for neutral and basic drugs using physicochemical measurements and plasma protein binding data.

Lombardo F, Obach RS, Shalaeva MY, Gao F. Lombardo F, et al. J Med Chem. 2002 Jun 20;45(13):2867-76. doi: 10.1021/jm0200409. J Med Chem. 2002. PMID: 12061889

8

ElogD(oct): a tool for lipophilicity determination in drug discovery. 2. Basic and neutral compounds.

Lombardo F, Shalaeva MY, Tupper KA, Gao F. Lombardo F, et al. Among authors: shalaeva my. J Med Chem. 2001 Jul 19;44(15):2490-7. doi: 10.1021/jm0100990. J Med Chem. 2001. PMID: 11448232

9

ElogPoct: a tool for lipophilicity determination in drug discovery.

Lombardo F, Shalaeva MY, Tupper KA, Gao F, Abraham MH. Lombardo F, et al. Among authors: shalaeva my. J Med Chem. 2000 Jul 27;43(15):2922-8. doi: 10.1021/jm0000822. J Med Chem. 2000. PMID: 10956200

10

Prediction of human volume of distribution values for neutral and basic drugs. 2. Extended data set and leave-class-out statistics.

Lombardo F, Obach RS, Shalaeva MY, Gao F. Lombardo F, et al. Among authors: shalaeva my. J Med Chem. 2004 Feb 26;47(5):1242-50. doi: 10.1021/jm030408h. J Med Chem. 2004. PMID: 14971904

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