Exploring the P2 and P3 ligand binding features for Hepatitis C virus NS3 protease using some 3D QSAR techniques

Wei, Hsin-Yuan; Lu, Chien-Sheng; Lin, Thy‐Hou

doi:10.1016/j.jmgm.2007.10.005

Cited by 15 publications

(7 citation statements)

References 47 publications

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“…2). 20 our result were supported by Wei et al 31 Hypogen-derived hypothesis generated from a set of HCV NS3 protease inhibitors. Such a reported HypoGen hypothesis consisted of the same five pharmacophore features applied in our hypothesis.…”

Section: Pharmacophore Modeling Study For Test Set (10a-g)supporting

confidence: 80%

Molecular modeling based approach, synthesis and in vitro assay to new indole inhibitors of hepatitis C NS3/4A serine protease

Ismail

Hattori

2011

Bioorganic & Medicinal Chemistry

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Section: Pharmacophore Modeling Study For Test Set (10a-g)supporting

confidence: 80%

Molecular modeling based approach, synthesis and in vitro assay to new indole inhibitors of hepatitis C NS3/4A serine protease

Ismail

Hattori

2011

Bioorganic & Medicinal Chemistry

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“…The docking results are summarized in protease inhibitors [53]. As shown in figure 2, the hydrophile phosphonic acid group of ligand14a is located in the hydrophobic cavity (brown region) of protease protein, leading to a decrease in the inhibitory effect (absence of hydrophobic interactions).…”

Section: Resultsmentioning

confidence: 99%

Efficient one-pot, three-component procedure to prepare new α-aminophosphonate and phosphonic acid acyclic nucleosides

Baddi

Ouzebla

Mansouri

et al. 2020

Nucleosides, Nucleotides & Nucleic Acids

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Efficient one-pot, three components procedure to prepare new αamino phosphonate and phosphonic acid acyclic nucleosides An efficient one-pot three-component Kabachnick-Fields reaction of aldehydes (acyclic nucleosides), amines (or amino acid), and triethylphosphite proceeded for the synthesis of amino phosphonates using natural phosphate coated with iodine (I 2 @NP) as a catalyst. The novel α-aminophosphonate and phosphonic acid acyclic nucleosides were tested for their anti-HCV and anti-HIV activities.The molecular docking showed that the non-activity of these compounds may be is due to the absence of hydrophobic pharmacophores.

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“…The NS3 protease has been considered as one of the most attractive targets for anti-HCV therapy because it is essential for viral replication and formation of infectious viral particles. Considerable efforts by different research groups have been directed toward development of HCV NS3 protease inhibitors [96]. For example, Nasser S. M. Ismail and coworkers used computational simulations techniques, such as molecular docking and pharmacophore modeling, to design novel indole-based derivatives as HCV NS3 protease inhibitors ( Fig.…”

Section: Indole Derivatives As Protease Inhibitorsmentioning

confidence: 99%

A review on recent developments of indole-containing antiviral agents

Zhang

Chen

Yang

2015

European Journal of Medicinal Chemistry

734

215

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Indole represents one of the most important privileged scaffolds in drug discovery. Indole derivatives have the unique property of mimicking the structure of peptides and to bind reversibly to enzymes, which provide tremendous opportunities to discover novel drugs with different modes of action. There are seven indole-containing commercial drugs in the Top-200 Best Selling Drugs by US Retail Sales in 2012. There are also an amazing number of approved indole-containing drugs in the market as well as compounds currently going through different clinical phases or registration statuses. This review focused on the recent development of indole derivatives as antiviral agents with the following objectives: 1) To present one of the most comprehensive listings of indole antiviral agents, drugs on market or compounds in clinical trials; 2) To focus on recent developments of indole compounds (including natural products) and their antiviral activities, summarize the structure property, hoping to inspire new and even more creative approaches; 3) To offer perspectives on how indole scaffolds as a privileged structure might be exploited in the future.

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Exploring the P2 and P3 ligand binding features for Hepatitis C virus NS3 protease using some 3D QSAR techniques

Cited by 15 publications

References 47 publications

Molecular modeling based approach, synthesis and in vitro assay to new indole inhibitors of hepatitis C NS3/4A serine protease

Molecular modeling based approach, synthesis and in vitro assay to new indole inhibitors of hepatitis C NS3/4A serine protease

Efficient one-pot, three-component procedure to prepare new α-aminophosphonate and phosphonic acid acyclic nucleosides

A review on recent developments of indole-containing antiviral agents

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