Backbone alignment modeling of the structure-activity relationships of opioid ligands

Zhijun Wu; Victor J. Hruby

doi:10.1021/ci2000852

Backbone alignment modeling of the structure-activity relationships of opioid ligands

Zhijun Wu
, Victor J. Hruby

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

Opioid studies are an important area of modern medicinal chemistry research. In this study we have provided innovative considerations to some long-standing problems in opioid studies, specifically the opioid pharmacophore and the potential binding modes of opioid ligands. Based on a new peptide backbone-alignment concept that we have developed along with this study, we discuss a wide variety of opioid ligands with respect to their structure - activity relationships. (Figure presented).

Original language	English (US)
Pages (from-to)	1151-1164
Number of pages	14
Journal	Journal of Chemical Information and Modeling
Volume	51
Issue number	5
DOIs	https://doi.org/10.1021/ci2000852
State	Published - May 23 2011
Externally published	Yes

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Computer Science Applications
Library and Information Sciences

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10.1021/ci2000852

Cite this

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title = "Backbone alignment modeling of the structure-activity relationships of opioid ligands",

abstract = "Opioid studies are an important area of modern medicinal chemistry research. In this study we have provided innovative considerations to some long-standing problems in opioid studies, specifically the opioid pharmacophore and the potential binding modes of opioid ligands. Based on a new peptide backbone-alignment concept that we have developed along with this study, we discuss a wide variety of opioid ligands with respect to their structure - activity relationships. (Figure presented).",

author = "Zhijun Wu and Hruby, \{Victor J.\}",

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AU - Wu, Zhijun

AU - Hruby, Victor J.

PY - 2011/5/23

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N2 - Opioid studies are an important area of modern medicinal chemistry research. In this study we have provided innovative considerations to some long-standing problems in opioid studies, specifically the opioid pharmacophore and the potential binding modes of opioid ligands. Based on a new peptide backbone-alignment concept that we have developed along with this study, we discuss a wide variety of opioid ligands with respect to their structure - activity relationships. (Figure presented).

AB - Opioid studies are an important area of modern medicinal chemistry research. In this study we have provided innovative considerations to some long-standing problems in opioid studies, specifically the opioid pharmacophore and the potential binding modes of opioid ligands. Based on a new peptide backbone-alignment concept that we have developed along with this study, we discuss a wide variety of opioid ligands with respect to their structure - activity relationships. (Figure presented).

UR - https://www.scopus.com/pages/publications/79960213315

UR - https://www.scopus.com/pages/publications/79960213315#tab=citedBy

U2 - 10.1021/ci2000852

DO - 10.1021/ci2000852

M3 - Article

C2 - 21488692

AN - SCOPUS:79960213315

SN - 1549-9596

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JO - Journal of Chemical Information and Modeling

JF - Journal of Chemical Information and Modeling

IS - 5

ER -

Backbone alignment modeling of the structure-activity relationships of opioid ligands

Abstract

ASJC Scopus subject areas

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