(Q34621241)

3 August 2017

title

Pharmacophore modelling: applications in drug discovery (English)

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3 August 2017

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Thierry Langer

1

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author name string

Rémy D Hoffmann

series ordinal

2

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3 August 2017

language of work or name

English

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publication date

1 August 2006

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Expert Opinion on Drug Discovery

3 August 2017

published in

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3 August 2017

volume

1

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3 August 2017

issue

3

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3 August 2017

page(s)

261-267

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Pharmacophore modeling and three-dimensional database searching for drug design using catalyst

3 August 2017

cites work

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Virtual screening—an overview

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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Virtual screening and fast automated docking methods.

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Detailed analysis of scoring functions for virtual screening

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Robust ligand-based modeling of the biological targets of known drugs

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Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa.

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Pharmacophore modeling, docking, and principal component analysis based clustering: combined computer-assisted approaches to identify new inhibitors of the human rhinovirus coat protein.

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Structural insights into human 5-lipoxygenase inhibition: combined ligand-based and target-based approach

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Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.

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Beta-diketo acid pharmacophore hypothesis. 1. Discovery of a novel class of HIV-1 integrase inhibitors

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Structure-based pharmacophore design and virtual screening for novel angiotensin converting enzyme 2 inhibitors.

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Application of the in combo screening approach for the discovery of non-alkaloid acetylcholinesterase inhibitors from Cichorium intybus

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Acetylcholinesterase inhibitory activity of scopolin and scopoletin discovered by virtual screening of natural products

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GPCR antitarget modeling: pharmacophore models for biogenic amine binding GPCRs to avoid GPCR-mediated side effects

21 January 2018

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Synthesis, biological evaluation, and pharmacophore generation of new pyridazinone derivatives with affinity toward alpha(1)- and alpha(2)-adrenoceptors

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The identification of ligand features essential for PXR activation by pharmacophore modeling

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Pharmacophore modeling and in silico screening for new P450 19 (aromatase) inhibitors

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Interaction profiles of protein kinase-inhibitor complexes and their application to virtual screening

21 January 2018

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A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

21 January 2018

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Assessing scoring functions for protein-ligand interactions

21 January 2018

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Docking and scoring in virtual screening for drug discovery: methods and applications

21 January 2018

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A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

21 January 2018

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21 January 2018

Identifiers

DOI

10.1517/17460441.1.3.261

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3 August 2017

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