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Structure-Based Pharmacophore Design and Virtual Screening for Novel Angiotensin Converting Enzyme 2 Inhibitors

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Poling: Promoting conformational variation
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ACE2: from vasopeptidase to SARS virus receptor
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S-Adenosylhomocysteine hydrolase as a target for intracellular adenosine action
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Novel technologies for virtual screening
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Design of potent competitive inhibitors of angiotensin-converting enzyme. Carboxyalkanoyl and mercaptoalkanoyl amino acids
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Angiotensin I converting enzyme from human plasma
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The Discovery of Kv1.5 Blockers as a Case Study for the Application of Virtual Screening Approaches
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Influenza Virus Neuraminidase Inhibitors: Generation and Comparison of Structure-Based and Common Feature Pharmacophore Hypotheses and Their Application in Virtual Screening
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LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters
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Substrate-Based Design of the First Class of Angiotensin-Converting Enzyme-Related Carboxypeptidase (ACE2) Inhibitors
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Discovery of High-Affinity Ligands of σ1 Receptor, ERG2, and Emopamil Binding Protein by Pharmacophore Modeling and Virtual Screening
inferredcites →https://doi.org/10.1023/a:1016307520660openalex-snapshot
Q-fit: A probabilistic method for docking molecular fragments by sampling low energy conformational space
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Virtual screening of chemical libraries
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Ace revisited: A new target for structure-based drug design
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Docking and scoring in virtual screening for drug discovery: methods and applications
inferredcites →https://doi.org/10.1074/jbc.m002615200openalex-snapshot
A Human Homolog of Angiotensin-converting Enzyme
inferredcites →https://doi.org/10.1074/jbc.m200581200openalex-snapshot
Hydrolysis of Biological Peptides by Human Angiotensin-converting Enzyme-related Carboxypeptidase
inferredcites →https://doi.org/10.1074/jbc.m311191200openalex-snapshot
ACE2 X-Ray Structures Reveal a Large Hinge-bending Motion Important for Inhibitor Binding and Catalysis
inferredcites →https://doi.org/10.2174/1568026023392940openalex-snapshot
History and Evolution of the Pharmacophore Concept in Computer-Aided Drug Design

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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BindingDB Entry 50041537: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1 modifications for the exploration of the S1 subsite.
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