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Pharmacophore Models for Virtual Screening

Published:2011-05-12 Issue: Volume: Page:115-152
ISSN:1865-0562
Container-title:Methods and Principles in Medicinal Chemistry
language:
Short-container-title:

Author:

Markt Patrick,Schuster Daniela,Langer Thierry

Publisher

Wiley-VCH Verlag GmbH & Co. KGaA

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/9783527633326.ch5/fullpdf

Reference150 articles.

1. Monty Kier and the origin of the pharmacophore concept;van Drie;Internet Electronic Journal of Molecular Design,2007

2. Molecular orbital calculation of preferred conformations of acetylcholine, muscarine, and muscarone;Kier;Molecular Pharmacology,1967

3. Molecular orbital calculations for the structure of the muscarine-pharmacophore;Höltje;Archiv der Pharmazie (Weinheim),1974

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1. Targeting the SARS-CoV-2 Main Protease: In Silico Study Contributed to Exploring Potential Natural Compounds as Candidate Inhibitors;Journal of Computational Biophysics and Chemistry;2022-07-01

2. In Silico Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening;Computational and Mathematical Methods in Medicine;2022-01-15

3. Non-Extensive Fragmentation of Natural Products and Pharmacophore-Based Virtual Screening as a Practical Approach to Identify Novel Promising Chemical Scaffolds;Frontiers in Chemistry;2021-08-02

4. Pharmacophore Model Refinement for 11β-Hydroxysteroid Dehydrogenase Inhibitors: Search for Modulators of Intracellular Glucocorticoid Concentrations;Molecular Informatics;2013-10-02

5. Docking compared to 3D-pharmacophores: the scoring function challenge;Drug Discovery Today: Technologies;2010-12

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