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The Block Relevance (BR) Analysis Makes the Choice of Methods for Measuring Lipophilicity and Permeability Safer and Speeds Up Drug Candidate Prioritization

Current pharmaceutical design, 2020-01, Vol.26 (44), p.5662-5667

2020

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Permeability prediction in the beyond-Rule-of 5 chemical space: Focus on cyclic hexapeptides

European journal of pharmaceutics and biopharmaceutics, 2021-08, Vol.165, p.259-270

2021

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Acid-base and lipophilic properties of peptide nucleic acid derivatives

Journal of pharmaceutical analysis, 2021-10, Vol.11 (5), p.638-645

2021

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Degraders early developability assessment: face-to-face with molecular properties

Drug discovery today, 2020-09, Vol.25 (9), p.1585-1591

2020

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Learning how to use IAM chromatography for predicting permeability

European journal of pharmaceutical sciences, 2018-03, Vol.114, p.385-390

2018

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Updating the portfolio of physicochemical descriptors related to permeability in the beyond the rule of 5 chemical space

European journal of pharmaceutical sciences, 2020-04, Vol.146, p.105274-105274, Article 105274

2020

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Ionization and lipophilicity in nonpolar media mimicking the cell membrane interior

Bioorganic & medicinal chemistry, 2023-03, Vol.81, p.117203-117203, Article 117203

2023

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Chromatographic HILIC indexes to characterize the lipophilicity of zwitterions

European journal of pharmaceutical sciences, 2020-03, Vol.145, p.105232-105232, Article 105232

2020

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Designing Soluble PROTACs: Strategies and Preliminary Guidelines

Journal of medicinal chemistry, 2022-10, Vol.65 (19), p.12639-12649

2022

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Log P as a tool in intramolecular hydrogen bond considerations

Drug discovery today. Technologies, 2018-07, Vol.27, p.65-70

2018

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Managing Experimental 3D Structures in the Beyond‐Rule‐of‐5 Chemical Space: The Case of Rifampicin

Chemistry : a European journal, 2021-07, Vol.27 (40), p.10394-10404

2021

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Refinement of Computational Access to Molecular Physicochemical Properties: From Ro5 to bRo5

Journal of medicinal chemistry, 2022-09, Vol.65 (18), p.12068-12083

2022

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IMHB-Mediated Chameleonicity in Drug Design: A Focus on Structurally Related PROTACs

Journal of medicinal chemistry, 2024-07, Vol.67 (13), p.11421-11434

2024

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Chamelogk: A Chromatographic Chameleonicity Quantifier to Design Orally Bioavailable Beyond-Rule-of‑5 Drugs

Journal of medicinal chemistry, 2023-08, Vol.66 (15), p.10681-10693

2023

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Rifampicin as an example of beyond-rule-of-5 compound: Ionization beyond water and lipophilicity beyond octanol/water

European journal of pharmaceutical sciences, 2021-06, Vol.161, p.105802-105802, Article 105802

2021

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Characterization of the new CelerisTM Arginine column: Retentive behaviour through a combination of chemometric tools and potential in drug analysis

Journal of Chromatography A, 2021-08, Vol.1651, p.462316, Article 462316

2021

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High throughput methods to measure the propensity of compounds to form intramolecular hydrogen bonding

MedChemComm, 2017-06, Vol.8 (6), p.1143-1151

2017

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High-throughput and reliable assessments of the ionization constant of monoprotic organic acids through an arginine based mixed mode HPLC

Journal of pharmaceutical and biomedical analysis, 2023-10, Vol.235, p.115604-115604, Article 115604

2023

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Permeability prediction for zwitterions via chromatographic indexes and classification into ‘certain’ and ‘uncertain’

Future medicinal chemistry, 2019-07, Vol.11 (13), p.1553-1563

2019

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Application of the anthraquinone drug rhein as an axial ligand in bifunctional Pt() complexes to obtain antiproliferative agents against human glioblastoma cells

Dalton transactions : an international journal of inorganic chemistry, 2022-04, Vol.51 (15), p.614-626

2022

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Blended-learning for courses in Pharmaceutical Analysis. Part 2

Je-LKS, 2013-01, Vol.9 (1)

2013

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Pt() complexes based on cyclohexanediamines and the histone deacetylase inhibitor 2-(2-propynyl)octanoic acid: synthesis, characterization, cell penetration properties and antitumor activity

Dalton transactions : an international journal of inorganic chemistry, 2021-04, Vol.5 (13), p.4663-4672

2021

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Solubility prediction in the bRo5 chemical space: where are we right now?

ADMET & DMPK, 2020-01, Vol.8 (3), p.207-214

2020

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The Block Relevance (BR) analysis to aid medicinal chemists to determine and interpret lipophilicity

MedChemComm, 2013-10, Vol.4 (10), p.1376

2013

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Molecular properties, including chameleonicity, as essential tools for designing the next generation of oral beyond rule of five drugs

ADMET & DMPK, 2024-08, Vol.12 (5), p.721-736

2024

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The Block Relevance (BR) Analysis Makes the Choice of Methods for Measuring Lipophilicity and Permeability Safer and Speeds Up Drug Candidate Prioritization

Permeability prediction in the beyond-Rule-of 5 chemical space: Focus on cyclic hexapeptides

Acid-base and lipophilic properties of peptide nucleic acid derivatives

Degraders early developability assessment: face-to-face with molecular properties

Learning how to use IAM chromatography for predicting permeability

Updating the portfolio of physicochemical descriptors related to permeability in the beyond the rule of 5 chemical space

Ionization and lipophilicity in nonpolar media mimicking the cell membrane interior

Chromatographic HILIC indexes to characterize the lipophilicity of zwitterions

Designing Soluble PROTACs: Strategies and Preliminary Guidelines

Log P as a tool in intramolecular hydrogen bond considerations

Managing Experimental 3D Structures in the Beyond‐Rule‐of‐5 Chemical Space: The Case of Rifampicin

Refinement of Computational Access to Molecular Physicochemical Properties: From Ro5 to bRo5

IMHB-Mediated Chameleonicity in Drug Design: A Focus on Structurally Related PROTACs

Chamelogk: A Chromatographic Chameleonicity Quantifier to Design Orally Bioavailable Beyond-Rule-of‑5 Drugs

Rifampicin as an example of beyond-rule-of-5 compound: Ionization beyond water and lipophilicity beyond octanol/water

Characterization of the new CelerisTM Arginine column: Retentive behaviour through a combination of chemometric tools and potential in drug analysis

High throughput methods to measure the propensity of compounds to form intramolecular hydrogen bonding

High-throughput and reliable assessments of the ionization constant of monoprotic organic acids through an arginine based mixed mode HPLC

Permeability prediction for zwitterions via chromatographic indexes and classification into ‘certain’ and ‘uncertain’

Application of the anthraquinone drug rhein as an axial ligand in bifunctional Pt() complexes to obtain antiproliferative agents against human glioblastoma cells

Blended-learning for courses in Pharmaceutical Analysis. Part 2

Pt() complexes based on cyclohexanediamines and the histone deacetylase inhibitor 2-(2-propynyl)octanoic acid: synthesis, characterization, cell penetration properties and antitumor activity

Solubility prediction in the bRo5 chemical space: where are we right now?

The Block Relevance (BR) analysis to aid medicinal chemists to determine and interpret lipophilicity

Molecular properties, including chameleonicity, as essential tools for designing the next generation of oral beyond rule of five drugs

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