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Pharmacophore Modeling, Docking, and Principal Component Analysis Based Clustering: Combined Computer-Assisted Approaches To Identify New Inhibitors of the Human Rhinovirus Coat Protein

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What this work says

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

inferredcites →https://doi.org/10.1007/bf01310997openalex-snapshot
In vitro activity of R 61837, a new antirhinovirus compound
inferredcites →https://doi.org/10.1016/0022-2836(91)90749-vopenalex-snapshot
Human rhinovirus 14 complexed with antiviral compound R 61837
inferredcites →https://doi.org/10.1016/0165-6147(83)90491-1openalex-snapshot
Hormones and neurotransmitters in milk
inferredcites →https://doi.org/10.1016/1074-5521(95)90050-0openalex-snapshot
Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming
inferredcites →https://doi.org/10.1016/s0003-2670(00)82801-9openalex-snapshot
Descriptions of molecular shape applied in studies of structure/activity and structure/property relationships
inferredcites →https://doi.org/10.1016/s0163-7258(99)00039-xopenalex-snapshot
New approaches to rational drug design
inferredcites →https://doi.org/10.1016/s0166-3542(00)00106-6openalex-snapshot
In vitro activity of pleconaril and AG7088 against selected serotypes and clinical isolates of human rhinoviruses1
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s1093-3263(01)00125-5openalex-snapshot
Consensus scoring for ligand/protein interactions
inferredcites →https://doi.org/10.1016/s1093-3263(02)00164-xopenalex-snapshot
LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites
inferredcites →https://doi.org/10.1021/ac00220a013openalex-snapshot
Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies
inferredcites →https://doi.org/10.1038/nrd1156openalex-snapshot
Drug research: myths, hype and reality
inferredcites →https://doi.org/10.1073/pnas.96.26.14730openalex-snapshot
Analysis of three structurally related antiviral compounds in complex with human rhinovirus 16
inferredcites →https://doi.org/10.1086/375069openalex-snapshot
Efficacy and Safety of Oral Pleconaril for Treatment of Colds Due to Picornaviruses in Adults: Results of 2 Double-Blind, Randomized, Placebo-Controlled Trials
inferredcites →https://doi.org/10.1093/emboj/18.22.6249openalex-snapshot
Structural studies of two rhinovirus serotypes complexed with fragments of their cellular receptor
inferredcites →https://doi.org/10.1128/aac.36.6.1186openalex-snapshot
In vitro studies of the antirhinovirus activity of soluble intercellular adhesion molecule-1
inferredcites →https://doi.org/10.1177/135965350200700107openalex-snapshot
Oral Pleconaril Treatment of Picornavirus-Associated Viral Respiratory Illness in Adults: Efficacy and Tolerability in Phase II Clinical Trials
inferredcites →https://doi.org/10.2174/1389557033487674openalex-snapshot
Applied Introduction to Multivariate Methods Used in Drug Discovery

What points at this work

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

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A self‐organizing algorithm for molecular alignment and pharmacophore development
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Scaffold‐Hopping: How Far Can You Jump?
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inferred← citeshttps://doi.org/10.1016/b978-0-12-374194-3.00015-9openalex-snapshot
Molecular Variations Based on Isosteric Replacements
inferred← citeshttps://doi.org/10.1016/b978-0-12-417205-0.00008-0openalex-snapshot
Molecular Variations Based on Isosteric Replacements
inferred← citeshttps://doi.org/10.1016/j.bmc.2014.05.066openalex-snapshot
Synthesis of new compounds with promising antiviral properties against group A and B Human Rhinoviruses
inferred← citeshttps://doi.org/10.1016/j.cbi.2006.12.006openalex-snapshot
Computer-aided drug discovery and development (CADDD): In silico-chemico-biological approach
inferred← citeshttps://doi.org/10.1016/j.cclet.2007.02.008openalex-snapshot
Synthesis of a new series of anti-rhinovirus compounds
inferred← citeshttps://doi.org/10.1016/j.cdc.2020.100485openalex-snapshot
Comparing molecular dynamics-derived pharmacophore models with docking: A study on CDK-2 inhibitors
inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.11.003openalex-snapshot
Integration of virtual and physical screening
inferred← citeshttps://doi.org/10.1016/j.drudis.2023.103581openalex-snapshot
Computer-aided drug design in seeking viral capsid modulators
inferred← citeshttps://doi.org/10.1016/j.ejmech.2006.12.028openalex-snapshot
In-silico drug screening method based on the protein–compound affinity matrix using the factor selection technique
inferred← citeshttps://doi.org/10.1016/j.indcrop.2026.123928openalex-snapshot
Machine learning-augmented network pharmacology prioritizes multi-target anti-inflammatory candidates from the n-hexane fraction of Alstonia boonei
inferred← citeshttps://doi.org/10.1016/j.jmgm.2008.05.003openalex-snapshot
Structural basis for ligand recognition at the benzodiazepine binding site of GABAA α3 receptor, and pharmacophore-based virtual screening approach
inferred← citeshttps://doi.org/10.1016/j.jmgm.2016.12.019openalex-snapshot
First protein drug target’s appraisal of lead-likeness descriptors to unfold the intervening chemical space
inferred← citeshttps://doi.org/10.1016/j.molstruc.2013.03.022openalex-snapshot
Docking and 3-D QSAR studies on the binding of tetrahydropyrimid-2-one HIV-1 protease inhibitors
inferred← citeshttps://doi.org/10.1016/j.phytochem.2014.10.010openalex-snapshot
Accessing biological actions of Ganoderma secondary metabolites by in silico profiling
inferred← citeshttps://doi.org/10.1016/j.virol.2006.09.012openalex-snapshot
Understanding human rhinovirus infections in terms of QSAR
inferred← citeshttps://doi.org/10.1021/acs.jcim.6b00192openalex-snapshot
Chemical Space Mapping and Structure–Activity Analysis of the ChEMBL Antiviral Compound Set
inferred← citeshttps://doi.org/10.1021/ci100136bopenalex-snapshot
One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space
inferred← citeshttps://doi.org/10.1021/jm070516uopenalex-snapshot
Principal Component Analysis Differentiates the Receptor Binding Profiles of Three Antipsychotic Drug Candidates from Current Antipsychotic Drugs
inferred← citeshttps://doi.org/10.1021/jm701494bopenalex-snapshot
Structure-Based Virtual Screening for the Discovery of Natural Inhibitors for Human Rhinovirus Coat Protein
inferred← citeshttps://doi.org/10.1021/jm800054hopenalex-snapshot
Discovery of Nonsteroidal 17β-Hydroxysteroid Dehydrogenase 1 Inhibitors by Pharmacophore-Based Screening of Virtual Compound Libraries
inferred← citeshttps://doi.org/10.1021/jm8005977openalex-snapshot
The Protein Data Bank (PDB), Its Related Services and Software Tools as Key Components for In Silico Guided Drug Discovery
inferred← citeshttps://doi.org/10.1021/jm800731bopenalex-snapshot
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inferred← citeshttps://doi.org/10.1038/sj.bjp.0707306openalex-snapshot
In silicopharmacology for drug discovery: applications to targets and beyond
inferred← citeshttps://doi.org/10.1039/9781847558879-00076openalex-snapshot
Pharmacophore-based Virtual Screening in Drug Discovery
inferred← citeshttps://doi.org/10.1055/s-0028-1088397openalex-snapshot
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inferred← citeshttps://doi.org/10.1128/9781555816698.ch29openalex-snapshot
Antiviral Drugs
inferred← citeshttps://doi.org/10.1517/17460441.1.3.261openalex-snapshot
Pharmacophore modelling: applications in drug discovery
inferred← citeshttps://doi.org/10.2174/1568026619666181120142141openalex-snapshot
Application of Computational Techniques to Unravel Structure-Function Relationship and their Role in Therapeutic Development
inferred← citeshttps://doi.org/10.2174/157340909787580854openalex-snapshot
Combined Virtual Screening Strategies
inferred← citeshttps://doi.org/10.26512/2014.12.t.18868openalex-snapshot
Estudo do mecanismo de ação das moléculas agonistas e antagonistas para o tratamento do mal de Alzheimer e da depressão
inferred← citeshttps://doi.org/10.3390/molecules16053479openalex-snapshot
Study of the Biological Activity of Novel Synthetic Compounds with Antiviral Properties against Human Rhinoviruses
inferred← citeshttps://doi.org/10.48550/arxiv.1403.8072openalex-snapshot
A Pre-Docking Filter Based on Image Recognition
inferred← citeshttps://doi.org/10.5455/javar.2021.h481openalex-snapshot
Molecular optimization, docking, and dynamic simulation profiling of selective aromatic phytochemical ligands in blocking the SARS-CoV-2 S protein attachment to ACE2 receptor: an in silico approach of targeted drug designing
inferred← citeshttps://doi.org/10.5772/37426openalex-snapshot
Pharmacophoric Profile: Design of New Potential Drugs with PCA Analysis
inferred← citeshttps://doi.org/10.70675/5f1dee56z0ae7z4702zbd92z03596274e8f9openalex-snapshot
Computer-aided drug design of broad-spectrum antiviral compounds
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