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3D-QSAR CoMFA of a Series of DABO Derivatives as HIV-1 Reverse Transcriptase Non-Nucleoside Inhibitors
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Burger's Medicinal Chemistry and Drug Discovery
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Recent Trends in Quantitative Structure‐Activity Relationships
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Non‐Nucleoside HIV‐1 Reverse‐Transcriptase Inhibitors. Part 10
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Receptor-Based Prediction of Binding Affinities
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An example of 2-block predictive partial least-squares regression with simulated data
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HIV-chemotherapy and -prophylaxis: new drugs, leads and approaches
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3D-QSAR CoMFA/CoMSIA studies on Urokinase plasminogen activator (uPA) inhibitors: a strategic design in novel anticancer agents
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3D-QSAR studies of pyruvate dehydrogenase kinase inhibitors based on a divide and conquer strategy
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New developments in anti-HIV chemotherapy
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Perspectives of non-nucleoside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection
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Structure-based 3D-QSAR—merging the accuracy of structure-based alignments with the computational efficiency of ligand-based methods
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New developments in anti-HIV chemotherapy
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QSAR and 3D QSAR in drug design Part 1: methodology
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QSAR and 3D QSAR in drug design Part 2: applications and problems
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3D-Quantitative Structure−Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations
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Improved CoMFA Modeling by Optimization of Settings
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Highly Predictive CoMFA and CoMSIA Models for Two Series of Stromelysin-1 (MMP-3) Inhibitors Elucidate S1‘ and S1−S2‘ Binding Modes
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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
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Preparation and anti-HIV-1 activity of Thio Analogues of Dichydroalkoxybenzyloxopyrimidines
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Structure−Activity Relationships of the Antimalarial Agent Artemisinin. 6. The Development of Predictive In Vitro Potency Models Using CoMFA and HQSAR Methodologies
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Computer-Aided Design, Synthesis, and Anti-HIV-1 Activity in Vitro of 2-Alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)- ones as Novel Potent Non-Nucleoside Reverse Transcriptase Inhibitors, Also Active Against the Y181C Variant
inferredcites →https://doi.org/10.1021/jm040158kopenalex-snapshot
New Approaches toward Anti-HIV Chemotherapy
inferredcites →https://doi.org/10.1021/jm0708230openalex-snapshot
Dihydro-alkylthio-benzyl-oxopyrimidines as Inhibitors of Reverse Transcriptase: Synthesis and Rationalization of the Biological Data on Both Wild-Type Enzyme and Relevant Clinical Mutants
inferredcites →https://doi.org/10.1021/jm960056xopenalex-snapshot
Complexes of HIV-1 Reverse Transcriptase with Inhibitors of the HEPT Series Reveal Conformational Changes Relevant to the Design of Potent Non-Nucleoside Inhibitors
inferredcites →https://doi.org/10.1021/jm960802yopenalex-snapshot
Dihydro(alkylthio)(naphthylmethyl)oxopyrimidines: Novel Non-Nucleoside Reverse Transcriptase Inhibitors of the S-DABO Series
inferredcites →https://doi.org/10.1021/jm980260fopenalex-snapshot
5-Alkyl-2-(alkylthio)-6-(2,6-dihalophenylmethyl)-3,4-dihydropyrimidin-4(3H)-ones: Novel Potent and Selective Dihydro-alkoxy-benzyl-oxopyrimidine Derivatives
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Computational Studies on HIV-1 Protease Inhibitors: Influence of Calculated Inhibitor−Enzyme Binding Affinities on the Statistical Quality of 3D-QSAR CoMFA Models
inferredcites →https://doi.org/10.1038/nsb0495-293openalex-snapshot
High resolution structures of HIV-1 RT from four RT–inhibitor complexes
inferredcites →https://doi.org/10.1080/14756360600774413openalex-snapshot
Novel tight binding PETT, HEPT and DABO-based non-nucleoside inhibitors of HIV-1 reverse transcriptase
inferredcites →https://doi.org/10.1093/bib/2.2.199openalex-snapshot
Molecular Modelling: Principles and Applications
inferredcites →https://doi.org/10.1177/095632029300400608openalex-snapshot
3,4-Dihydro-2-Alkoxy-6-Benzyl-4-Oxopyrimidines (DABOs): A New Class of Specific Inhibitors of Human Immunodeficiency Virus Type 1
inferredcites →https://doi.org/10.1590/s0100-40422001000500013openalex-snapshot
Proposição, validação e análise dos modelos que correlacionam estrutura química e atividade biológica
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Química Medicinal: 25 anos de planejamento racional de fármacos
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HIV-1 Reverse Transcriptase: A Therapeutical Target in the Spotlight
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Current State and Perspectives of 3D-QSAR
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Current Status of the Non-nucleoside Reverse Transcriptase Inhibitors of Human Immunodeficiency Virus Type 1
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Fundamentals of medicinal chemistry
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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ASSAY TECHNOLOGIES FOR PROTEASES
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ChemInform Abstract: 3D‐QSAR CoMFA of a Series of DABO Derivatives as HIV‐1 Reverse Transcriptase Non‐Nucleoside Inhibitors.
inferred← citeshttps://doi.org/10.1007/978-3-642-32750-6_5openalex-snapshot
Biological Activity and Toxicity: A Conceptual DFT Approach
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inferred← citeshttps://doi.org/10.1007/s11172-012-0182-7openalex-snapshot
6-(Arylmethyl)pyrimidin-4(3H)-ones: anthology and prospects of highly efficient anti-HIV agents
inferred← citeshttps://doi.org/10.1021/jm801330nopenalex-snapshot
Discovery of Chiral Cyclopropyl Dihydro-Alkylthio-Benzyl-Oxopyrimidine (S-DABO) Derivatives as Potent HIV-1 Reverse Transcriptase Inhibitors with High Activity Against Clinically Relevant Mutants
inferred← citeshttps://doi.org/10.1039/c4ra15478aopenalex-snapshot
In silico de novo design of novel NNRTIs: a bio-molecular modelling approach
inferred← citeshttps://doi.org/10.1039/d4nj03247kopenalex-snapshot
Design of novel anti-MRSA inhibitors: a computational study integrating QSAR, ADMET, and molecular dynamics simulations
inferred← citeshttps://doi.org/10.1080/07391102.2016.1275810openalex-snapshot
Identification of novel hits as highly prospective dual agonists for mu and kappa opioid receptors: an integratedin silicoapproach
inferred← citeshttps://doi.org/10.1080/07391102.2023.2219331openalex-snapshot
Design of novel DABO derivatives as HIV-1 RT inhibitors using molecular docking, molecular dynamics simulations and ADMET properties
inferred← citeshttps://doi.org/10.1080/08927022.2024.2331237openalex-snapshot
Design of novel PLK4 inhibitors as TRIM37-amplified breast cancer drugs using 3D-QSAR, molecular docking, and molecular dynamics simulation methods
inferred← citeshttps://doi.org/10.1134/s0022476617070204openalex-snapshot
QSAR study by the RASMS method of DABO derivatives as HIV-1 reverse transcriptase non-nucleoside inhibitors
inferred← citeshttps://doi.org/10.3390/molecules17077666openalex-snapshot
Residue-Ligand Interaction Energy (ReLIE) on a Receptor-Dependent 3D-QSAR Analysis of S- and NH-DABOs as Non-Nucleoside Reverse Transcriptase Inhibitors
inferred← citeshttps://doi.org/10.4236/jbpc.2011.23041openalex-snapshot
Computational modeling studies on anti-HIV-1 non-nucleoside reverse transcriptase inhibition by dihydroalkoxybenzyloxopyrimidines analogues: an electrotopological atomistic approach
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