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Challenge of Atropisomerism in Drug Discovery

Angewandte Chemie (International ed.), 2009-01, Vol.48 (35), p.6398-6401

2009

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Assessing Atropisomer Axial Chirality in Drug Discovery and Development

Journal of medicinal chemistry, 2011-10, Vol.54 (20), p.7005-7022

2011

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Drug Self-Aggregation into Nano-Entities Has the Potential to Induce Immune Responses

Molecular pharmaceutics, 2023-08, Vol.20 (8), p.4031-4040

2023

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Synthesis and Biological Activity of Hydrazones and Derivatives: A Review

Mini reviews in medicinal chemistry, 2020-01, Vol.20 (5), p.342-368

2020

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Revealing Atropisomer Axial Chirality in Drug Discovery

ChemMedChem, 2011-03, Vol.6 (3), p.505-513

2011

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The Search for Antidotes Against Ricin

Mini reviews in medicinal chemistry, 2024-01, Vol.24 (12), p.1148-1161

2024

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Dynamic microfluidic single-cell screening identifies pheno-tuning compounds to potentiate tuberculosis therapy

Nature communications, 2024-05, Vol.15 (1), p.4175-4175, Article 4175

2024

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A Multi-epitope Vaccine Candidate Against Bolivian Hemorrhagic fever Caused by Machupo Virus

Applied biochemistry and biotechnology, 2024-04, Vol.196 (4), p.2137-2160

2024

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Compound Aggregation in Drug Discovery: Implementing a Practical NMR Assay for Medicinal Chemists

Journal of medicinal chemistry, 2013-06, Vol.56 (12), p.5142-5150

2013

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Monitoring Drug Self-Aggregation and Potential for Promiscuity in Off-Target In Vitro Pharmacology Screens by a Practical NMR Strategy

Journal of medicinal chemistry, 2013-09, Vol.56 (17), p.7073-7083

2013

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Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors

Toxins, 2020-11, Vol.12 (12), p.746

2020

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Enantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity

Journal of medicinal chemistry, 2014-03, Vol.57 (5), p.1944-1951

2014

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Molecular Dynamics of Outer Membrane-Embedded Polysaccharide Secretion Porins Reveals Closed Resting-State Surface Gates Targetable by Virtual Fragment Screening for Drug Hotspot Identification

ACS omega, 2024-03, Vol.9 (11), p.13217-13226

2024

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Reactivation of VX-Inhibited Human Acetylcholinesterase by Deprotonated Pralidoxime. A Complementary Quantum Mechanical Study

Biomolecules (Basel, Switzerland), 2020-01, Vol.10 (2), p.192

2020

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Theoretical Investigation of Repurposed Drugs Potentially Capable of Binding to the Catalytic Site and the Secondary Binding Pocket of Subunit A of Ricin

ACS omega, 2022-09, Vol.7 (36), p.32805-32815

2022

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NMR strategies to support medicinal chemistry workflows for primary structure determination

Bioorganic & medicinal chemistry letters, 2017-01, Vol.27 (2), p.242-247

2017

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NMR spectroscopy can help accelerate antiviral drug discovery programs

Microbes and infection, 2024-09, Vol.26 (7), p.105297, Article 105297

2024

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Probing the free-state solution behavior of drugs and their tendencies to self-aggregate into nano-entities

Nature protocols, 2021-11, Vol.16 (11), p.5250-5273

2021

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Revealing Drug Self-Associations into Nano-Entities

ACS omega, 2019-05, Vol.4 (5), p.8919-8925

2019

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Fragment‐Based Phenotypic Lead Discovery: Cell‐Based Assay to Target Leishmaniasis

ChemMedChem, 2018-07, Vol.13 (14), p.1377-1386

2018

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Exposing Small-Molecule Nanoentities by a Nuclear Magnetic Resonance Relaxation Assay

Journal of medicinal chemistry, 2019-09, Vol.62 (17), p.7885-7896

2019

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Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings

Bioorganic & medicinal chemistry letters, 2023-10, Vol.95, p.129488-129488, Article 129488

2023

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Practical Considerations and Guidelines for Spectral Referencing for Fluorine NMR Ligand Screening

ACS omega, 2022-04, Vol.7 (15), p.13155-13163

2022

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Robust Strategy for Hit-to-Lead Discovery: NMR for SAR

Journal of medicinal chemistry, 2023-10, Vol.66 (19), p.13416-13427

2023

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N-Phenylpyridine-3-Carboxamide and 6-Acetyl-1H-Indazole Inhibit the RNA Replication Step of the Dengue Virus Life Cycle

Antimicrobial agents and chemotherapy, 2023-02, Vol.67 (2), p.e0133122

2023

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Challenge of Atropisomerism in Drug Discovery

Assessing Atropisomer Axial Chirality in Drug Discovery and Development

Drug Self-Aggregation into Nano-Entities Has the Potential to Induce Immune Responses

Synthesis and Biological Activity of Hydrazones and Derivatives: A Review

Revealing Atropisomer Axial Chirality in Drug Discovery

The Search for Antidotes Against Ricin

Dynamic microfluidic single-cell screening identifies pheno-tuning compounds to potentiate tuberculosis therapy

A Multi-epitope Vaccine Candidate Against Bolivian Hemorrhagic fever Caused by Machupo Virus

Compound Aggregation in Drug Discovery: Implementing a Practical NMR Assay for Medicinal Chemists

Monitoring Drug Self-Aggregation and Potential for Promiscuity in Off-Target In Vitro Pharmacology Screens by a Practical NMR Strategy

Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors

Enantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity

Molecular Dynamics of Outer Membrane-Embedded Polysaccharide Secretion Porins Reveals Closed Resting-State Surface Gates Targetable by Virtual Fragment Screening for Drug Hotspot Identification

Reactivation of VX-Inhibited Human Acetylcholinesterase by Deprotonated Pralidoxime. A Complementary Quantum Mechanical Study

Theoretical Investigation of Repurposed Drugs Potentially Capable of Binding to the Catalytic Site and the Secondary Binding Pocket of Subunit A of Ricin

NMR strategies to support medicinal chemistry workflows for primary structure determination

NMR spectroscopy can help accelerate antiviral drug discovery programs

Probing the free-state solution behavior of drugs and their tendencies to self-aggregate into nano-entities

Revealing Drug Self-Associations into Nano-Entities

Fragment‐Based Phenotypic Lead Discovery: Cell‐Based Assay to Target Leishmaniasis

Exposing Small-Molecule Nanoentities by a Nuclear Magnetic Resonance Relaxation Assay

Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings

Practical Considerations and Guidelines for Spectral Referencing for Fluorine NMR Ligand Screening

Robust Strategy for Hit-to-Lead Discovery: NMR for SAR

N-Phenylpyridine-3-Carboxamide and 6-Acetyl-1H-Indazole Inhibit the RNA Replication Step of the Dengue Virus Life Cycle

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