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Computational studies of free radical-scavenging properties of phenolic compounds

Current topics in medicinal chemistry, 2015-01, Vol.15 (2), p.85-104

2015

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Hybrid Classification/Regression Approach to QSAR Modeling of Stoichiometric Antiradical Capacity Assays' Endpoints

Molecules (Basel, Switzerland), 2022-03, Vol.27 (7), p.2084

2022

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Combined Pharmacophore Modeling, Docking, and 3D QSAR Studies of ABCB1 and ABCC1 Transporter Inhibitors

ChemMedChem, 2009-11, Vol.4 (11), p.1883-1896

2009

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Structure–activity relationships of flavonoids as inhibitors of breast cancer resistance protein (BCRP)

Bioorganic & medicinal chemistry, 2011-03, Vol.19 (6), p.2090-2102

2011

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Identification of Putative Binding Sites of P-glycoprotein Based on its Homology Model

ChemMedChem, 2008-02, Vol.3 (2), p.280-295

2008

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Quantitative structure − skin permeability relationships

Toxicology (Amsterdam), 2017-07, Vol.387, p.27-42

2017

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In Silico Identification of Multi-Target Ligands as Promising Hit Compounds for Neurodegenerative Diseases Drug Development

International journal of molecular sciences, 2022-11, Vol.23 (21), p.13650

2022

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Protein Contacts and Ligand Binding in the Inward-Facing Model of Human P-Glycoprotein

ChemMedChem, 2013-05, Vol.8 (5), p.748-762

2013

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Comparison of the inward- and outward-open homology models and ligand binding of human P-glycoprotein

The FEBS journal, 2009-12, Vol.276 (23), p.7016-7026

2009

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New Potential Pharmacological Targets of Plant-Derived Hydroxyanthraquinones from Rubia spp

Molecules (Basel, Switzerland), 2022-05, Vol.27 (10), p.3274

2022

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Pharmacophore Model of Drugs Involved in P-Glycoprotein Multidrug Resistance: Explanation of Structural Variety (Hypothesis)

Journal of medicinal chemistry, 2002-12, Vol.45 (26), p.5671-5686

2002

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Structure-activity relationships of multidrug resistance reversers

Current medicinal chemistry, 2001-05, Vol.8 (6), p.685-713

2001

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Novel Heat Shock Protein 90 Inhibitors Suppress P-Glycoprotein Activity and Overcome Multidrug Resistance in Cancer Cells

International journal of molecular sciences, 2019-09, Vol.20 (18), p.4575

2019

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A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments

International journal of molecular sciences, 2019-09, Vol.20 (18), p.4648

2019

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Synthesis and Biological Study of 4-Aminopyridine-Peptide Derivatives Designed for the Treatment of Neurodegenerative Disorders

Current Alzheimer research, 2023-01, Vol.20 (2), p.120-129

2023

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Interactions of the Multidrug Resistance Modulators Tariquidar and Elacridar and their Analogues with P-glycoprotein

ChemMedChem, 2013-10, Vol.8 (10), p.1701-1713

2013

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Computational Analysis of Chemical Space of Natural Compounds Interacting with Sulfotransferases

Molecules (Basel, Switzerland), 2021-10, Vol.26 (21), p.6360

2021

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Structure–Activity Relationships of Tariquidar Analogs as Multidrug Resistance Modulators

The AAPS journal, 2009-09, Vol.11 (3), p.435-444, Article 435

2009

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Design, Synthesis, In Silico Studies and In Vitro Evaluation of New Indole- and/or Donepezil-like Hybrids as Multitarget-Directed Agents for Alzheimer's Disease

Pharmaceuticals (Basel, Switzerland), 2023-08, Vol.16 (9), p.1194

2023

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The crystal structure of (4SR)-7-(3,4-dichlorobenzyl)-4,8,8-trimethyl-7,8-dihydroimidazo[5,1c][1,2,4]triazine-3,6(2H,4H)-dione, C15H16Cl2N4O2

Zeitschrift für Kristallographie. New crystal structures, 2022-04, Vol.237 (2), p.319-321

2022

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Functional assay and structure–activity relationships of new third-generation P-glycoprotein inhibitors

Bioorganic & medicinal chemistry, 2008-03, Vol.16 (5), p.2448-2462

2008

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Synthesis and biological evaluation of a small molecule library of 3rd generation multidrug resistance modulators

Bioorganic & medicinal chemistry, 2009-03, Vol.17 (6), p.2524-2535

2009

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Cytotoxicity and Microbicidal Activity of Commonly Used Organic Solvents: A Comparative Study and Application to a Standardized Extract from Vaccinium macrocarpon

Toxics (Basel), 2021-04, Vol.9 (5), p.92

2021

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Application of InterCriteria Analysis to Assess the Performance of Scoring Functions in Molecular Docking Software Packages

Mathematics (Basel), 2022-07, Vol.10 (15), p.2549

2022

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An Application of InterCriteria Analysis Approach to Assess the AMMOS Software Platform Outcomes

Biomath (Sofia, Bulgaria), 2022-05, Vol.11 (1), p.2203068

2022

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Computational studies of free radical-scavenging properties of phenolic compounds

Hybrid Classification/Regression Approach to QSAR Modeling of Stoichiometric Antiradical Capacity Assays' Endpoints

Combined Pharmacophore Modeling, Docking, and 3D QSAR Studies of ABCB1 and ABCC1 Transporter Inhibitors

Structure–activity relationships of flavonoids as inhibitors of breast cancer resistance protein (BCRP)

Identification of Putative Binding Sites of P-glycoprotein Based on its Homology Model

Quantitative structure − skin permeability relationships

In Silico Identification of Multi-Target Ligands as Promising Hit Compounds for Neurodegenerative Diseases Drug Development

Protein Contacts and Ligand Binding in the Inward-Facing Model of Human P-Glycoprotein

Comparison of the inward- and outward-open homology models and ligand binding of human P-glycoprotein

New Potential Pharmacological Targets of Plant-Derived Hydroxyanthraquinones from Rubia spp

Pharmacophore Model of Drugs Involved in P-Glycoprotein Multidrug Resistance: Explanation of Structural Variety (Hypothesis)

Structure-activity relationships of multidrug resistance reversers

Novel Heat Shock Protein 90 Inhibitors Suppress P-Glycoprotein Activity and Overcome Multidrug Resistance in Cancer Cells

A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments

Synthesis and Biological Study of 4-Aminopyridine-Peptide Derivatives Designed for the Treatment of Neurodegenerative Disorders

Interactions of the Multidrug Resistance Modulators Tariquidar and Elacridar and their Analogues with P-glycoprotein

Computational Analysis of Chemical Space of Natural Compounds Interacting with Sulfotransferases

Structure–Activity Relationships of Tariquidar Analogs as Multidrug Resistance Modulators

Design, Synthesis, In Silico Studies and In Vitro Evaluation of New Indole- and/or Donepezil-like Hybrids as Multitarget-Directed Agents for Alzheimer's Disease

The crystal structure of (4SR)-7-(3,4-dichlorobenzyl)-4,8,8-trimethyl-7,8-dihydroimidazo[5,1c][1,2,4]triazine-3,6(2H,4H)-dione, C15H16Cl2N4O2

Functional assay and structure–activity relationships of new third-generation P-glycoprotein inhibitors

Synthesis and biological evaluation of a small molecule library of 3rd generation multidrug resistance modulators

Cytotoxicity and Microbicidal Activity of Commonly Used Organic Solvents: A Comparative Study and Application to a Standardized Extract from Vaccinium macrocarpon

Application of InterCriteria Analysis to Assess the Performance of Scoring Functions in Molecular Docking Software Packages

An Application of InterCriteria Analysis Approach to Assess the AMMOS Software Platform Outcomes

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