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6.9
5.4
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Pharmaceutics
Special Issues
Drug Design and Targeting
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Drug Design and Targeting

A special issue of Pharmaceutics (ISSN 1999-4923).

Deadline for manuscript submissions: closed (31 July 2011) | Viewed by 9722

Special Issue Editor

Prof. Dr. Nicholas Bodor

E-Mail
Guest Editor
Center for Drug Discovery, University of Florida, P.O. Box 100497, Gainesville, FL 32610, USA
Interests: retrometabolic design; soft drugs; chemical-enzymatic targeting; computer assisted drug design; metabolism

Keywords

  • prodrugs
  • soft drugs
  • drug metabolism
  • drug transport
  • drug distribution
  • retrometabolic design
  • receptor binding
  • isosteric
  • isoelectronic
  • analog design
  • computer assisted drug design
  • inclusion complexes
  • controlled release

Published Papers (1 paper)

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Review

931 KiB  
Review
Ionic Channels as Targets for Drug Design: A Review on Computational Methods
by Gregorio Fernández-Ballester, Asia Fernández-Carvajal, José Manuel González-Ros and Antonio Ferrer-Montiel
Pharmaceutics 2011, 3(4), 932-953; https://doi.org/10.3390/pharmaceutics3040932 - 09 Dec 2011
Cited by 25 | Viewed by 9225
Abstract
Ion channels are involved in a broad range of physiological and pathological processes. The implications of ion channels in a variety of diseases, including diabetes, epilepsy, hypertension, cancer and even chronic pain, have signaled them as pivotal drug targets. Thus far, drugs targeting [...] Read more.
Ion channels are involved in a broad range of physiological and pathological processes. The implications of ion channels in a variety of diseases, including diabetes, epilepsy, hypertension, cancer and even chronic pain, have signaled them as pivotal drug targets. Thus far, drugs targeting ion channels were developed without detailed knowledge of the molecular interactions between the lead compounds and the target channels. In recent years, however, the emergence of high-resolution structures for a plethora of ion channels paves the way for computer-assisted drug design. Currently, available functional and structural data provide an attractive platform to generate models that combine substrate-based and protein-based approaches. In silico approaches include homology modeling, quantitative structure-activity relationships, virtual ligand screening, similarity and pharmacophore searching, data mining, and data analysis tools. These strategies have been frequently used in the discovery and optimization of novel molecules with enhanced affinity and specificity for the selected therapeutic targets. In this review we summarize recent applications of in silico methods that are being used for the development of ion channel drugs. Full article
(This article belongs to the Special Issue Drug Design and Targeting)
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