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3D-Pharmacophore Identification for κ-Opioid Agonists Using Ligand-Based Drug-Design Techniques

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Chemistry of Opioids

Part of the book series: Topics in Current Chemistry ((TOPCURRCHEM,volume 299))

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Abbreviations

2D:

Two-dimensional

3D:

Three-dimensional

δ/κ:

K i(δ)/K i(κ)

μ/κ:

K i(μ)/K i(κ)

BCG:

Bicyclic guanidine

CCK:

Cholecystokinin

DOR:

δ-Opioid receptor

GPCR:

G-protein-coupled receptor

K i :

Inhibition constant

KOR:

κ-Opioid receptor

MD:

Molecular dynamics

MMFF:

Merck molecular force field

MOR:

μ-Opioid receptor

ORL1:

Opioid receptor-like 1 receptor

pK a :

Negative logarithm of acid dissociation constant

QSAR:

Quantitative structure–activity relationship

SAR:

Structure–activity relationship

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Acknowledgments

We reused some content from [67] with permission from Elsevier. Copyright (2010).

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Authors and Affiliations

  1. School of Pharmacy, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo, 108-8641, Japan

    Noriyuki Yamaotsu & Shuichi Hirono

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  1. Noriyuki Yamaotsu
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  2. Shuichi Hirono
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Correspondence to Noriyuki Yamaotsu .

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Editors and Affiliations

  1. School of Pharmaceutical Sciences, Dept. Medicinal Chemistry, Kitasato University, Sirokane 5-9-1, Tokyo, 108-8641, Japan

    Hiroshi Nagase

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Yamaotsu, N., Hirono, S. (2010). 3D-Pharmacophore Identification for κ-Opioid Agonists Using Ligand-Based Drug-Design Techniques. In: Nagase, H. (eds) Chemistry of Opioids. Topics in Current Chemistry, vol 299. Springer, Berlin, Heidelberg. https://doi.org/10.1007/128_2010_84

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