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Structure‐Based Pharmacophores for Virtual Screening

https://doi.org/10.1002/minf.201100007

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What this work says

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

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“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

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Scaffold Hopping by “Fuzzy” Pharmacophores and its Application to RNA Targets

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Pharmacophore-Based Virtual Screening

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The computer program LUDI: A new method for the de novo design of enzyme inhibitors

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LigBuilder: A Multi-Purpose Program for Structure-Based Drug Design

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SCORE: A New Empirical Method for Estimating the Binding Affinity of a Protein-Ligand Complex

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Efficient overlay of small organic molecules using 3D pharmacophores

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PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

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Discovery of novel benzene 1,3-dicarboxylic acid inhibitors of bacterial MurD and MurE ligases by structure-based virtual screening approach

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Structural and Functional Characterization of Enantiomeric Glutamic Acid Derivatives as Potential Transition State Analogue Inhibitors of MurD Ligase

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UNIDENTIFIED CURVED BACILLI IN THE STOMACH OF PATIENTS WITH GASTRITIS AND PEPTIC ULCERATION

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LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters

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Pocket v.2: Further Developments on Receptor-Based Pharmacophore Modeling

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A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application

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Unbiasing Scoring Functions: A New Normalization and Rescoring Strategy

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Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores

inferredcites →https://doi.org/10.1021/ci900212vopenalex-snapshot

Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis

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High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields

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

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Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

inferredcites →https://doi.org/10.1021/jm701494bopenalex-snapshot

Structure-Based Virtual Screening for the Discovery of Natural Inhibitors for Human Rhinovirus Coat Protein

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Novel Naphthalene-N-sulfonyl- d -glutamic Acid Derivatives as Inhibitors of MurD, a Key Peptidoglycan Biosynthesis Enzyme,

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Discovery of Multitarget Inhibitors by Combining Molecular Docking with Common Pharmacophore Matching

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Crystal structure of human leukotriene A(4) hydrolase, a bifunctional enzyme in inflammation.

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Helicobacter pylori HtrA is a new secreted virulence factor that cleaves E‐cadherin to disrupt intercellular adhesion

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

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Multifaceted polo-like kinases: drug targets and antitargets for cancer therapy

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Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2

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Analysis of three structurally related antiviral compounds in complex with human rhinovirus 16

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The Protein Data Bank

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Structural and Virological Studies of the Stages of Virus Replication That Are Affected by Antirhinovirus Compounds

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PocketPicker: analysis of ligand binding-sites with shape descriptors

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Glossary of terms used in medicinal chemistry (IUPAC Recommendations 1998)

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Inhibitors of Helicobacter pylori Protease HtrA Found by ‘Virtual Ligand’ Screening Combat Bacterial Invasion of Epithelia

inferredcites →https://doi.org/10.2174/092986706778201530openalex-snapshot

Targeting Protein-Protein Interactions with Small Molecules: Challenges and Perspectives for omputational Binding Epitope Detection and Ligand Finding

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A Pseudo-Ligand Approach to Virtual Screening

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Fate of primary cells at the G1/S boundary after polo-like kinase 1 inhibition by SBE13

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Biological impact of freezing Plk1 in its inactive conformation in cancer cells

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

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Development of purely structure-based pharmacophores for the topoisomerase I-DNA-ligand binding pocket

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Exhaustive Repertoire of Druggable Cavities at Protein–Protein Interfaces of Known Three-Dimensional Structure

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