Lista de obras - Andrew Leach - Dominio Público Uruguay

A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state

artículo científico publicado en 2015

A system for encoding and searching Markush structures

artículo científico publicado en 2012

Anion-Initiated Trifluoromethylation by TMSCF: Deconvolution of the Siliconate-Carbanion Dichotomy by Stopped-Flow NMR/IR

scholarly article by Craig P Johnston et al published 5 September 2018 in Journal of the American Chemical Society

Antibody-catalyzed oxy-cope rearrangement: mechanism and origins of catalysis and stereoselectivity from DFT quantum mechanics and flexible docking.

artículo científico publicado en 2004

Base-Catalyzed Aryl-B(OH)2 Protodeboronation Revisited: From Concerted Proton Transfer to Liberation of a Transient Aryl Anion.

artículo científico publicado en 2017

Binding Affinities of Host–Guest, Protein–Ligand, and Protein–Transition‐State Complexes ⬇️

artículo científico publicado el 20 de octubre de 2003

Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?

artículo científico publicado en 2018

Catalytic Enantioselective Synthesis of α-Chiral Azaheteroaryl Ethylamines by Asymmetric Protonation

scientific article published on 01 August 2018

Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists.

artículo científico publicado en 2014

Combined Application of Analytical Techniques for the Characterization of Polymer Supported Species

article

Comparison of the ATP binding sites of protein kinases using conformationally diverse bisindolylmaleimides

artículo científico publicado en 2005

Derivatisation of parthenolide to address chemoresistant chronic lymphocytic leukaemia

scientific article published on 01 August 2019

Designing Hydroxamates and Reversed Hydroxamates to Inhibit Zinc-containing Proteases but not Cytochrome P450s: Insights from Quantum Mechanics and Protein-ligand Crystal Structures.

artículo científico publicado en 2015

Difluorocarbene Generation from TMSCF3: Kinetics and Mechanism of NaI-Mediated, and Si-Induced, Anionic Chain Reactions

scientific article published on 27 July 2020

Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases ⬇️

artículo científico publicado el 26 de febrero de 2013

Discovery, optimisation and in vivo evaluation of novel GPR119 agonists

artículo científico publicado en 2011

Do glycosyl sulfonium ions engage in neighbouring-group participation? A study of oxathiane glycosyl donors and the basis for their stereoselectivity

artículo científico publicado en 2011

Enhancing the kinetics of hydrazone exchange processes: an experimental and computational study

scientific article published on 01 March 2019

Experimental testing of quantum mechanical predictions of mutagenicity: aminopyrazoles

artículo científico publicado en 2013

Fragment-oriented synthesis: β-elaboration of cyclic amine fragments using enecarbamates as platform intermediates

artículo científico publicado en 2020

Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors

artículo científico publicado en 2012

Furanyl cyclic amines: a diastereoselective synthesis of 2,6-syn-disubstituted piperidines under thermodynamic control

scientific article published on 20 February 2012

Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes

artículo científico publicado en 2012

Inhibitors of epidermal growth factor receptor tyrosine kinase: Novel C-5 substituted anilinoquinazolines designed to target the ribose pocket

artículo científico publicado en 2005

Inhibitors of the tyrosine kinase EphB4. Part 1: Structure-based design and optimization of a series of 2,4-bis-anilinopyrimidines

artículo científico publicado en 2008

Inhibitors of the tyrosine kinase EphB4. Part 2: structure-based discovery and optimisation of 3,5-bis substituted anilinopyrimidines

artículo científico publicado en 2008

Kinetics and Mechanism of the Arase-Hoshi R2BH-Catalyzed Alkyne Hydroboration: Alkenylboronate Generation via B-H/C-B Metathesis

scientific article published on 11 November 2019

Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA).

artículo científico publicado en 2017

MIDA boronates are hydrolysed fast and slow by two different mechanisms.

artículo científico publicado en 2016

Matched molecular pair analysis in drug discovery.

artículo científico publicado en 2013

Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure

artículo científico publicado en 2006

Mechanistic studies on a sulfoxide transfer reaction mediated by diphenyl sulfoxide/triflic anhydride

artículo científico publicado en 2012

Palladium and Platinum 2,4-cis-amino Azetidine and Related Complexes.

artículo científico publicado en 2018

Predicting protein-ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A

artículo científico publicado en 2019

Predicting the activity and toxicity of new psychoactive substances: a pharmaceutical industry perspective

artículo científico publicado en 2013

Protein-ligand crystal structures can guide the design of selective inhibitors of the FGFR tyrosine kinase

artículo científico publicado en 2012

Protodeboronation of Heteroaromatic, Vinyl, and Cyclopropyl Boronic Acids: pH-Rate Profiles, Autocatalysis, and Disproportionation.

artículo científico publicado en 2016

Quantitative Prediction of Rate Constants for Aqueous Racemization To Avoid Pointless Stereoselective Syntheses.

artículo científico publicado en 2017

Quantitatively Interpreted Enhanced Inhibition of Cytochrome P450s by Heteroaromatic Rings Containing Nitrogen ⬇️

artículo científico publicado el 4 de mayo de 2011

Racemisation in Chemistry and Biology

artículo científico publicado en 2020

Rationally designing safer anilines: the challenging case of 4-aminobiphenyls

artículo científico publicado en 2012

Reaction energies computed with density functional theory correspond with a whole organism effect; modelling the Ames test for mutagenicity.

artículo científico publicado en 2009

Rigid and concave, 2,4-cis-substituted azetidine derivatives: A platform for asymmetric catalysis.

artículo científico publicado en 2018

Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.

artículo científico publicado en 2009

Stereoselective glycosylation using oxathiane glycosyl donors

artículo científico publicado en 2009

The discovery of benzanilides as c-Met receptor tyrosine kinase inhibitors by a directed screening approach.

artículo científico publicado en 2011

The problem of racemization in drug discovery and tools to predict it

scientific article published on 18 March 2019

Tuning the Binding Affinity and Selectivity of Perfluoroaryl-Stapled Peptides by Cysteine-Editing

scientific article published on 27 November 2018

Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs

artículo científico publicado en 2017

Unexpected syn hydride migration in the non-aldol aldol reaction

artículo científico publicado en 2003

Use of small-molecule crystal structures to address solubility in a novel series of G protein coupled receptor 119 agonists: optimization of a lead and in vivo evaluation.

artículo científico publicado en 2012

Lista de obras de Andrew Leach

A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state

A system for encoding and searching Markush structures

Anion-Initiated Trifluoromethylation by TMSCF: Deconvolution of the Siliconate-Carbanion Dichotomy by Stopped-Flow NMR/IR

Antibody-catalyzed oxy-cope rearrangement: mechanism and origins of catalysis and stereoselectivity from DFT quantum mechanics and flexible docking.

Base-Catalyzed Aryl-B(OH)2 Protodeboronation Revisited: From Concerted Proton Transfer to Liberation of a Transient Aryl Anion.

Binding Affinities of Host–Guest, Protein–Ligand, and Protein–Transition‐State Complexes ⬇️

Can we accelerate medicinal chemistry by augmenting the chemist with Big Data and artificial intelligence?

Catalytic Enantioselective Synthesis of α-Chiral Azaheteroaryl Ethylamines by Asymmetric Protonation

Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists.

Combined Application of Analytical Techniques for the Characterization of Polymer Supported Species

Comparison of the ATP binding sites of protein kinases using conformationally diverse bisindolylmaleimides

Derivatisation of parthenolide to address chemoresistant chronic lymphocytic leukaemia

Designing Hydroxamates and Reversed Hydroxamates to Inhibit Zinc-containing Proteases but not Cytochrome P450s: Insights from Quantum Mechanics and Protein-ligand Crystal Structures.

Difluorocarbene Generation from TMSCF3: Kinetics and Mechanism of NaI-Mediated, and Si-Induced, Anionic Chain Reactions

Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases ⬇️

Discovery, optimisation and in vivo evaluation of novel GPR119 agonists

Do glycosyl sulfonium ions engage in neighbouring-group participation? A study of oxathiane glycosyl donors and the basis for their stereoselectivity

Enhancing the kinetics of hydrazone exchange processes: an experimental and computational study

Experimental testing of quantum mechanical predictions of mutagenicity: aminopyrazoles

Fragment-oriented synthesis: β-elaboration of cyclic amine fragments using enecarbamates as platform intermediates

Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors

Furanyl cyclic amines: a diastereoselective synthesis of 2,6-syn-disubstituted piperidines under thermodynamic control

Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes

Inhibitors of epidermal growth factor receptor tyrosine kinase: Novel C-5 substituted anilinoquinazolines designed to target the ribose pocket

Inhibitors of the tyrosine kinase EphB4. Part 1: Structure-based design and optimization of a series of 2,4-bis-anilinopyrimidines

Inhibitors of the tyrosine kinase EphB4. Part 2: structure-based discovery and optimisation of 3,5-bis substituted anilinopyrimidines

Kinetics and Mechanism of the Arase-Hoshi R2BH-Catalyzed Alkyne Hydroboration: Alkenylboronate Generation via B-H/C-B Metathesis

Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA).

MIDA boronates are hydrolysed fast and slow by two different mechanisms.

Matched molecular pair analysis in drug discovery.

Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure

Mechanistic studies on a sulfoxide transfer reaction mediated by diphenyl sulfoxide/triflic anhydride

Palladium and Platinum 2,4-cis-amino Azetidine and Related Complexes.

Predicting protein-ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A

Predicting the activity and toxicity of new psychoactive substances: a pharmaceutical industry perspective

Protein-ligand crystal structures can guide the design of selective inhibitors of the FGFR tyrosine kinase

Protodeboronation of Heteroaromatic, Vinyl, and Cyclopropyl Boronic Acids: pH-Rate Profiles, Autocatalysis, and Disproportionation.

Quantitative Prediction of Rate Constants for Aqueous Racemization To Avoid Pointless Stereoselective Syntheses.

Quantitatively Interpreted Enhanced Inhibition of Cytochrome P450s by Heteroaromatic Rings Containing Nitrogen ⬇️

Racemisation in Chemistry and Biology

Rationally designing safer anilines: the challenging case of 4-aminobiphenyls

Reaction energies computed with density functional theory correspond with a whole organism effect; modelling the Ames test for mutagenicity.

Rigid and concave, 2,4-cis-substituted azetidine derivatives: A platform for asymmetric catalysis.

Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.

Stereoselective glycosylation using oxathiane glycosyl donors

The discovery of benzanilides as c-Met receptor tyrosine kinase inhibitors by a directed screening approach.

The problem of racemization in drug discovery and tools to predict it

Tuning the Binding Affinity and Selectivity of Perfluoroaryl-Stapled Peptides by Cysteine-Editing

Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs

Unexpected syn hydride migration in the non-aldol aldol reaction

Use of small-molecule crystal structures to address solubility in a novel series of G protein coupled receptor 119 agonists: optimization of a lead and in vivo evaluation.