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On the Basicity of Organic Bases in Different Media

European journal of organic chemistry, 2019-10, Vol.2019 (40), p.6735-6748

2019

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Direct Metal-Free Transformation of Alkynes to Nitriles: Computational Evidence for the Precise Reaction Mechanism

International journal of molecular sciences, 2021-03, Vol.22 (6), p.3193

2021

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Prominent Neuroprotective Potential of Indole-2- N -methylpropargylamine: High Affinity and Irreversible Inhibition Efficiency towards Monoamine Oxidase B Revealed by Computational Scaffold Analysis

Pharmaceuticals (Basel, Switzerland), 2024-09, Vol.17 (10), p.1292

2024

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On the Basicity of Conjugated Nitrogen Heterocycles in Different Media

European journal of organic chemistry, 2017-08, Vol.2017 (30), p.4475-4489

2017

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The Effect of Deuteration on the H2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding Interactions

Molecules (Basel, Switzerland), 2020-12, Vol.25 (24), p.6017

2020

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Why Monoamine Oxidase B Preferably Metabolizes N -Methylhistamine over Histamine: Evidence from the Multiscale Simulation of the Rate-Limiting Step

International journal of molecular sciences, 2022-02, Vol.23 (3), p.1910

2022

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COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes

Computational and structural biotechnology journal, 2022-01, Vol.20, p.1254-1263

2022

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The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes

Frontiers in neuroscience, 2016-07, Vol.10, p.327

2016

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Indomethacin Increases Quercetin Affinity for Human Serum Albumin: A Combined Experimental and Computational Study and Its Broader Implications

International journal of molecular sciences, 2020-08, Vol.21 (16), p.5740

2020

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Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study

International journal of molecular sciences, 2020-08, Vol.21 (17), p.6151

2020

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The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands

PloS one, 2016-05, Vol.11 (5), p.e0154002

2016

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Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of Dopamine

The journal of physical chemistry. B, 2016-04, Vol.120 (14), p.3488-3492

2016

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Farmaceutski značaj procesa stereoizomerizacije

Kemija u industriji, 2023-01, Vol.72 (1-2), p.55-64

2023

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Novel Insights into the Thioesterolytic Activity of N -Substituted Pyridinium-4-oximes

Molecules (Basel, Switzerland), 2020-05, Vol.25 (10), p.2385

2020

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Chemistry of Spontaneous Alkylation of Methimazole with 1,2-Dichloroethane

Molecules (Basel, Switzerland), 2021-11, Vol.26 (22), p.7032

2021

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Novel harmicines with improved potency against plasmodium

Molecules (Basel, Switzerland), 2020-09, Vol.25 (19), p.4376

2020

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Distinctive Nucleic Acid Recognition by Lysine-Embedded Phenanthridine Peptides

International journal of molecular sciences, 2024-05, Vol.25 (9), p.4866

2024

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Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine

Proteins, structure, function, and bioinformatics, 2014-12, Vol.82 (12), p.3347-3355

2014

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Nucleobase-Guanidiniocarbonyl-Pyrrole Conjugates as Novel Fluorimetric Sensors for Single Stranded RNA

Molecules (Basel, Switzerland), 2017-12, Vol.22 (12), p.2213

2017

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Selective Deuteration Improves the Affinity of Adenosine A 2A Receptor Ligands: A Computational Case Study with Istradefylline and Caffeine

Journal of chemical information and modeling, 2023-05, Vol.63 (10), p.3138-3149

2023

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Selective Deuteration Improves the Affinity of Adenosine A2A Receptor Ligands: A Computational Case Study with Istradefylline and Caffeine

Journal of chemical information and modeling, 2023-05, Vol.63 (10), p.3138-3149

2023

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Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from Deuteration

Biomolecules (Basel, Switzerland), 2020-01, Vol.10 (2), p.196

2020

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Microsolvation of the histamine monocation in aqueous solution: the effect on structure, hydrogen bonding ability and vibrational spectrum

New journal of chemistry, 2012, Vol.36 (4), p.954

2012

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Synthesis, Computational Analysis, and Antiproliferative Activity of Novel Benzimidazole Acrylonitriles as Tubulin Polymerization Inhibitors: Part 2

Pharmaceuticals (Basel, Switzerland), 2021-10, Vol.14 (10), p.1052

2021

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Potentiometric Surfactant Sensor Based on 1,3-Dihexadecyl-1H-benzo[d]imidazol-3-ium for Anionic Surfactants in Detergents and Household Care Products

Molecules (Basel, Switzerland), 2021-06, Vol.26 (12), p.3627

2021

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On the Basicity of Organic Bases in Different Media

Direct Metal-Free Transformation of Alkynes to Nitriles: Computational Evidence for the Precise Reaction Mechanism

Prominent Neuroprotective Potential of Indole-2- N -methylpropargylamine: High Affinity and Irreversible Inhibition Efficiency towards Monoamine Oxidase B Revealed by Computational Scaffold Analysis

On the Basicity of Conjugated Nitrogen Heterocycles in Different Media

The Effect of Deuteration on the H2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding Interactions

Why Monoamine Oxidase B Preferably Metabolizes N -Methylhistamine over Histamine: Evidence from the Multiscale Simulation of the Rate-Limiting Step

COVID-19 infection and neurodegeneration: Computational evidence for interactions between the SARS-CoV-2 spike protein and monoamine oxidase enzymes

The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes

Indomethacin Increases Quercetin Affinity for Human Serum Albumin: A Combined Experimental and Computational Study and Its Broader Implications

Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study

The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands

Path Integral Simulation of the H/D Kinetic Isotope Effect in Monoamine Oxidase B Catalyzed Decomposition of Dopamine

Farmaceutski značaj procesa stereoizomerizacije

Novel Insights into the Thioesterolytic Activity of N -Substituted Pyridinium-4-oximes

Chemistry of Spontaneous Alkylation of Methimazole with 1,2-Dichloroethane

Novel harmicines with improved potency against plasmodium

Distinctive Nucleic Acid Recognition by Lysine-Embedded Phenanthridine Peptides

Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine

Nucleobase-Guanidiniocarbonyl-Pyrrole Conjugates as Novel Fluorimetric Sensors for Single Stranded RNA

Selective Deuteration Improves the Affinity of Adenosine A 2A Receptor Ligands: A Computational Case Study with Istradefylline and Caffeine

Selective Deuteration Improves the Affinity of Adenosine A2A Receptor Ligands: A Computational Case Study with Istradefylline and Caffeine

Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from Deuteration

Microsolvation of the histamine monocation in aqueous solution: the effect on structure, hydrogen bonding ability and vibrational spectrum

Synthesis, Computational Analysis, and Antiproliferative Activity of Novel Benzimidazole Acrylonitriles as Tubulin Polymerization Inhibitors: Part 2

Potentiometric Surfactant Sensor Based on 1,3-Dihexadecyl-1H-benzo[d]imidazol-3-ium for Anionic Surfactants in Detergents and Household Care Products

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