Conformational Flexibility, Internal Hydrogen Bonding, and Passive Membrane Permeability: Successful in Silico Prediction of the Relative Permeabilities of Cyclic Peptides-Reference-Cited by-同舟云学术

Conformational Flexibility, Internal Hydrogen Bonding, and Passive Membrane Permeability: Successful in Silico Prediction of the Relative Permeabilities of Cyclic Peptides

Published:2006-10-06 Issue:43 Volume:128 Page:14073-14080
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Rezai Taha¹,Bock Jonathan E.¹,Zhou Mai V.¹,Kalyanaraman Chakrapani¹,Lokey R. Scott¹,Jacobson Matthew P.¹

Affiliation:

1. Contribution from the Department of Chemistry and Biochemistry, University of California at Santa Cruz, Santa Cruz, California 95064, and Department of Pharmaceutical Chemistry, University of California at San Francisco, 600 16th Street, San Francisco, California 94143-2240

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja063076p

Reference50 articles.

1. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

2. In silico ADME/Tox: the state of the art

3. In Silico Prediction of Membrane Permeability from Calculated Molecular Parameters

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