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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

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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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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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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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

2001

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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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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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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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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

2023

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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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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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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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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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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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New Therapeutic Strategy for Overcoming Multidrug Resistance in Cancer Cells with Pyrazolo[3,4-d]pyrimidine Tyrosine Kinase Inhibitors

Cancers, 2021-10, Vol.13 (21), p.5308

2021

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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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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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Structural and Dynamical Insight into PPARγ Antagonism: In Silico Study of the Ligand-Receptor Interactions of Non-Covalent Antagonists

International journal of molecular sciences, 2015-07, Vol.16 (7), p.15405-15424

2015

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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

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

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

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

Structure-activity relationships of multidrug resistance reversers

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

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

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

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

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

Structure–Activity Relationships of Tariquidar Analogs as Multidrug Resistance Modulators

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

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

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

New Therapeutic Strategy for Overcoming Multidrug Resistance in Cancer Cells with Pyrazolo[3,4-d]pyrimidine Tyrosine Kinase Inhibitors

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

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

Structural and Dynamical Insight into PPARγ Antagonism: In Silico Study of the Ligand-Receptor Interactions of Non-Covalent Antagonists

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