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Molecular Modeling of 5 HT 2AReceptor – Arylpiperazine Ligands Interactions
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1096-987x(199604)17:5/6<616::aid-jcc5>3.0.co;2-xopenalex-snapshot
Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules
inferredcites →https://doi.org/10.1002/1096-987x(200012)21:16<1442::aid-jcc3>3.0.co;2-oopenalex-snapshot
A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments
inferredcites →https://doi.org/10.1002/ardp.200700062openalex-snapshot
1‐Cinnamyl‐4‐(2‐methoxyphenyl)piperazines: Synthesis, Binding Properties, and Docking to Dopamine (D2) and Serotonin (5‐HT1A) Receptors
inferredcites →https://doi.org/10.1002/ardp.200900168openalex-snapshot
Pharmacological Evaluation of Halogenated and Non‐halogenated Arylpiperazin‐1‐yl‐ethyl‐benzimidazoles as D2and 5‐HT2AReceptor Ligands
inferredcites →https://doi.org/10.1002/jcc.20289openalex-snapshot
Scalable molecular dynamics with NAMD
inferredcites →https://doi.org/10.1002/jcc.21256openalex-snapshot
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
inferredcites →https://doi.org/10.1002/jcc.21334openalex-snapshot
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
inferredcites →https://doi.org/10.1002/prot.340120407openalex-snapshot
Stereochemical quality of protein structure coordinates
inferredcites →https://doi.org/10.1002/qua.24237openalex-snapshot
Molecular determinants for ligand binding at serotonin 5‐HT2A and 5‐HT2C GPCRs: Experimental affinity results analyzed by molecular modeling and ligand docking studies
inferredcites →https://doi.org/10.1007/s00894-007-0233-4openalex-snapshot
Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements
inferredcites →https://doi.org/10.1016/0091-3057(91)90121-hopenalex-snapshot
Serotonin receptors and their ligands: A lack of selective agents
inferredcites →https://doi.org/10.1016/0263-7855(92)80007-zopenalex-snapshot
A graphics program for the analysis and display of molecular dynamics trajectories
inferredcites →https://doi.org/10.1016/0263-7855(96)00018-5openalex-snapshot
VMD: Visual molecular dynamics
inferredcites →https://doi.org/10.1016/j.bmcl.2004.06.005openalex-snapshot
Pharmacological evaluation of selected arylpiperazines with atypical antipsychotic potential
inferredcites →https://doi.org/10.1016/j.str.2008.05.001openalex-snapshot
A Specific Cholesterol Binding Site Is Established by the 2.8 Å Structure of the Human β2-Adrenergic Receptor
inferredcites →https://doi.org/10.1016/s0022-3565(24)39293-6openalex-snapshot
A Highly Conserved Aspartic Acid (Asp-155) Anchors the Terminal Amine Moiety of Tryptamines and Is Involved in Membrane Targeting of the 5-HT2A Serotonin Receptor But Does Not Participate in Activation via a “Salt-Bridge Disruption” Mechanism
inferredcites →https://doi.org/10.1016/s0024-3205(03)00227-3openalex-snapshot
Identification of the binding sites and selectivity of sarpogrelate, a novel 5-HT2 antagonist, to human 5-HT2A, 5-HT2B and 5-HT2C receptor subtypes by molecular modeling
inferredcites →https://doi.org/10.1016/s1093-3263(98)00003-5openalex-snapshot
Visualization of solvation structures in liquid mixtures
inferredcites →https://doi.org/10.1021/jm0309452openalex-snapshot
Recognition of Privileged Structures by G-Protein Coupled Receptors
inferredcites →https://doi.org/10.1021/jp973084fopenalex-snapshot
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
inferredcites →https://doi.org/10.1046/j.1471-4159.1994.63020465.xopenalex-snapshot
Primary Structure of the Human Platelet Serotonin 5‐HT2A Receptor: Identity with Frontal Cortex Serotonin 5‐HT2A Receptor
inferredcites →https://doi.org/10.1093/nar/gkg520openalex-snapshot
SWISS-MODEL: an automated protein homology-modeling server
inferredcites →https://doi.org/10.1093/nar/gkn750openalex-snapshot
The SWISS-MODEL Repository and associated resources
inferredcites →https://doi.org/10.1107/s0021889892009944openalex-snapshot
PROCHECK: a program to check the stereochemical quality of protein structures
inferredcites →https://doi.org/10.1111/cbdd.12069openalex-snapshot
Structure‐Based Identification of Aporphines with Selective 5‐HT2AReceptor‐Binding Activity
inferredcites →https://doi.org/10.1124/mol.106.028720openalex-snapshot
Molecular Interaction of Serotonin 5-HT2A Receptor Residues Phe339(6.51) and Phe340(6.52) with Superpotent N-Benzyl Phenethylamine Agonists
inferredcites →https://doi.org/10.2298/jsc0705429aopenalex-snapshot
Synthesis and pharmacological evaluation of several N-(2-nitrophenyl) piperazine derivatives
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4758294openalex-extracted
Combining Machine Learning, Molecular Dynamics, and Free Energy Analysis for (5ht)-2a Receptor Modulator Classification
inferred← citeshttps://doi.org/10.1002/cmdc.202500288openalex-snapshot
Novel 4,5‐Dihydrothiazole‐Phenylpiperazine Derivatives: Synthesis, Docking Studies and Pharmacological Evaluation as Serotonergic Agents
inferred← citeshttps://doi.org/10.1007/s00894-019-3995-6openalex-snapshot
Recognition of repulsive and attractive regions of selected serotonin receptor binding site using FMO-EDA approach
inferred← citeshttps://doi.org/10.1016/j.bmcl.2014.11.005openalex-snapshot
Exploiting uncertainty measures in compounds activity prediction using support vector machines
inferred← citeshttps://doi.org/10.1016/j.jmgm.2024.108842openalex-snapshot
Combining machine learning, molecular dynamics, and free energy analysis for (5HT)-2A receptor modulator classification
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00266openalex-snapshot
Salt Bridge in Ligand–Protein Complexes—Systematic Theoretical and Statistical Investigations
inferred← citeshttps://doi.org/10.1021/acschemneuro.0c00291openalex-snapshot
Psychedelic-like Properties of Quipazine and Its Structural Analogues in Mice
inferred← citeshttps://doi.org/10.1039/d6cp00943copenalex-snapshot
MFCC–DFT mapping of ligand recognition at the 5-HT 2A receptor: energetic analysis of the interactions between serotonin, psychedelics, and antipsychotics
inferred← citeshttps://doi.org/10.1186/s13321-015-0088-0openalex-snapshot
Robust optimization of SVM hyperparameters in the classification of bioactive compounds
inferred← citeshttps://doi.org/10.1371/journal.pone.0122772openalex-snapshot
Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
inferred← citeshttps://doi.org/10.2174/1389557523666230508162439openalex-snapshot
Recent Studies on Serotonin 5-HT2A Receptor Antagonists in Medicinal Chemistry: A Last Decades Survey
inferred← citeshttps://doi.org/10.2174/1570159x16666180308161642openalex-snapshot
In Silico Studies Targeting G-protein Coupled Receptors for Drug Research Against Parkinson’s Disease
inferred← citeshttps://doi.org/10.2298/jsc230906076aopenalex-snapshot
Synthesis, computational and pharmacological evaluation of novel N-{4-[2-(4-aryl-piperazin-1-yl)ethyl]phenyl}-arylamides
inferred← citeshttps://doi.org/10.3390/molecules201119679openalex-snapshot
Extremely Randomized Machine Learning Methods for Compound Activity Prediction
inferred← citeshttps://doi.org/10.3390/molecules22071064openalex-snapshot
Mechanism Exploration of Arylpiperazine Derivatives Targeting the 5-HT2A Receptor by In Silico Methods
inferred← citeshttps://doi.org/10.62347/nhuv4765openalex-snapshot
A comprehensive review of the ten main platelet receptors involved in platelet activity and cardiovascular disease
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