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New Strategy for Receptor-Based Pharmacophore Query Construction: A Case Study for 5-HT7 Receptor Ligands

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What this work says

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

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A fast conformational search strategy for finding low energy structures of model proteins

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Comparative Protein Modelling by Satisfaction of Spatial Restraints

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Comparison of the predicted and observed secondary structure of T4 phage lysozyme

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Protein binding site analysis by means of structural interaction fingerprint patterns

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Pharmacophore design and database searching for selective monoamine neurotransmitter transporter ligands

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First pharmacophoric hypothesis for 5-HT7 antagonism

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Corrigendum to “First pharmacophoric hypothesis for 5-HT7 antagonism”

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Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships

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ZINC − A Free Database of Commercially Available Compounds for 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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Snooker: A Structure-Based Pharmacophore Generation Tool Applied to Class A GPCRs

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Protein–Ligand-Based Pharmacophores: Generation and Utility Assessment in Computational Ligand Profiling

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

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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

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Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis

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Pharmacophore Fingerprinting. 1. Application to QSAR and Focused Library Design

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Pharmacophore Fingerprinting. 2. Application to Primary Library Design

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

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Structural Interaction Fingerprint (SIFt): A Novel Method for Analyzing Three-Dimensional Protein−Ligand Binding Interactions

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Optimization of the Pharmacophore Model for 5-HT7R Antagonism. Design and Synthesis of New Naphtholactam and Naphthosultam Derivatives

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The Discovery of New 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors by Common Feature Pharmacophore Modeling and Virtual Screening

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Receptor-Based Pharmacophores for Serotonin 5-HT7R AntagonistsImplications to Selectivity

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Benchmarking Sets for Molecular Docking

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Sequence-Derived Three-Dimensional Pharmacophore Models for G-Protein-Coupled Receptors and Their Application in Virtual Screening

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PROSITE: A documented database using patterns and profiles as motif descriptors

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GBPM: GRID-based pharmacophore model: concept and application studies to protein–protein recognition

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PONGO: a web server for multiple predictions of all-alpha transmembrane proteins

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ChEMBL: a large-scale bioactivity database for drug discovery

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Reorganizing the protein space at the Universal Protein Resource (UniProt)

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A transposase strategy for creating libraries of circularly permuted proteins

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Proceedings of the 23rd international conference on Machine learning - ICML '06

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The relationship between Precision-Recall and ROC curves

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Pharmacophore Models for Metabotropic 5-HT Receptor Ligands

What points at this work

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

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Virtual screening identifies a PIN1 inhibitor with possible antiovarian cancer effects

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Binding mode of conformations and structure-based pharmacophore development for farnesyltransferase inhibitors

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Practical application of the Average Information Content Maximization (AIC-MAX) algorithm: selection of the most important structural features for serotonin receptor ligands

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Molecular modeling studies to discover novel mIDH2 inhibitors with high selectivity for the primary and secondary mutants

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Halogen Bonding Hot Spots as a Constraint in Virtual Screening: A Case Study of 5-HT7R

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Structure–Activity Relationships and Therapeutic Potentials of 5-HT7Receptor Ligands: An Update

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Pharmacophore Modeling Using Site-Identification by Ligand Competitive Saturation (SILCS) with Multiple Probe Molecules

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Fast Identification of Novel Lymphoid Tyrosine Phosphatase Inhibitors Using Target–Ligand Interaction-Based Virtual Screening

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Implementation of pseudoreceptor-based pharmacophore queries in the prediction of probable protein targets: explorations in the protein structural profile of Zea mays

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Rational design of 5-HT 6 R ligands using a bioisosteric strategy: synthesis, biological evaluation and molecular modelling

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Improvising 5-HT 7 R homology model for design of high affinity ligands: model validation with docking, embrace minimization, MM-GBSA, and molecular dynamic simulations

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Structure-guided pharmacophore based virtual screening, docking, and molecular dynamics to discover repurposed drugs as novel inhibitors against endoribonuclease Nsp15 of SARS-CoV-2

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Exploring the exportin-1 inhibitors for COVID-19 and anticancer treatment

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5-HT7 Receptors: New Horizons in the Therapy of Neuropsychiatric and Neurodegenerative Diseases

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From the Explored to the Unexplored: Computer-Tailored Drug Design Attempts in the Discovery of Selective Caspase Inhibitors

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Molecular dynamic simulations and structure-based pharmacophore development for farnesyltransferase inhibitors discovery

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N-(2-Hydroxyphenyl)-1-[3-(2-oxo-2,3-dihydro-1H- benzimidazol-1-yl)propyl]piperidine-4-Carboxamide (D2AAK4), a Multi-Target Ligand of Aminergic GPCRs, as a Potential Antipsychotic

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Probabilistic Approach for Virtual Screening Based on Multiple Pharmacophores

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