Prediction of Passive Membrane Permeability by Semi‐Empirical Method Considering Viscous and Inertial Resistances and Different Rates of Conformational Change and Diffusion-Reference-Cited by-同舟云学术

Prediction of Passive Membrane Permeability by Semi‐Empirical Method Considering Viscous and Inertial Resistances and Different Rates of Conformational Change and Diffusion

Published:2019-10-14 Issue:1-2 Volume:39 Page:1900071
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Fukunishi Yoshifumi¹^ORCID,Mashimo Tadaaki²³,Kurosawa Takashi²⁴,Wakabayashi Yoshinori⁵,Nakamura Hironori K.⁶,Takeuchi Koh¹

Affiliation:

1. Molecular Profiling Research Center for Drug Discovery (molprof)National Institute of Advanced Industrial Science and Technology (AIST) 2-3-26, Aomi, Koto-ku Tokyo 135-0064 Japan

2. Technology Research Association for Next-Generation Natural Products Chemistry 2-3-26, Aomi, Koto-ku Tokyo 135-0064 Japan

3. IMSBIO Co., Ltd. Owl Tower, 4–21-1, Higashi-Ikebukuro, Toshima-ku Tokyo 170-0013 Japan

4. Hitachi Solutions East Japan, 12–1 Ekimaehoncho, Kawasaki-ku, Kawasaki Kanagawa 210-0007 Japan

5. BY-HEX LLP, 1–19-14, Shimizu, Suginami-ku Tokyo 167-0033 Japan

6. Biomodeling Research Co., Ltd. 1-704-2 Uedanishi, Tenpaku-ku, Nagoya Aichi 468-0058 Japan

Funder

National Institute of Advanced Industrial Science and Technology

Japan Agency for Medical Research and Development

Ministry of Economy, Trade, and Industry (METI) of Japan

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.201900071

Reference62 articles.

1. Water and nonelectrolyte permeability of lipid bilayer membranes.

2. Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model

3. Conformational Flexibility Is a Determinant of Permeability for Cyclosporin

4. Molecular Dynamics Simulations of Membrane Permeability

5. Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides

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