Publications & Patents
Accelerating the life sciences ecosystem
Publications
Medicinal chemistry optimisation of kinetics” in Kinetics and Thermodynamics of Drug Binding
101) Medicinal chemistry optimisation of kinetics” in Kinetics and Thermodynamics of Drug Binding, Keseru, G. M. and Swinney, D., eds. Waring, M. J.; Leach, A. G.; Miller, D. 2015.
Tactics to avoid inhibition of cytochrome P450s” in Tactics in Contemporary Drug Design
101) Tactics to avoid inhibition of cytochrome P450s” in Tactics in Contemporary Drug Design, Meanwell, N., ed. Leach, A. G.* 2015, 107-158.
Discovery of a series of 2-(pyridinyl)pyrimidines as potent antagonists of GPR40.
102) Discovery of a series of 2-(pyridinyl)pyrimidines as potent antagonists of GPR40.
Waring, M. J.; Baker, D. J.; Bennett, S. N. L. Dossetter, A. G.; Fenwick, M.; Garcia, R.; Georgsson, J.; Groombridge, S.D.; Loxham, S; MacFaul, P.A.; Maskill, K. G.; Morgan, D.; Morrell, J.; Pointon, H.; Robb, G. R.; Smith, D. M.; Stokes, S.; Wilkinson, G.
Med. Chem. Commun., 2015, 6, 1024-1029
An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer.
103) An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer.
Colley, H. E.; Muthana, M.; Danson, S. J.; Jackson, L. V.; Brett, M. L.; Harrison, J.; Coole, S. F.; Mason, D. P.; Jennings, L. R.; Wong, M.; Tulasi, V.; Norman, D.; Lockey, P. M.; Williams, L.; Dossetter, A. G.; Griffen, E.J.; Thompson, M. J.
Department of Chemistry, University of Sheffield , Brook Hill, Sheffield S3 7HF, U.K.
J. Med. Chem. 2015, 58, 9309-33.
A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state.
104) A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state. Noonan, G.; Leach, A. G.* Org. Biomol. Chem. 2015, 13, 2555-2560.
Designing hydroxamates and reversed hydroxamates to inhibit zinc-containing proteases but not cytochrome P450s: insights from quantum mechanics and protein-ligand crystal structures
105) Designing hydroxamates and reversed hydroxamates to inhibit zinc-containing proteases but not cytochrome P450s: insights from quantum mechanics and protein-ligand crystal structures. Barker, C.; Lukac, I.; Leach, A. G.* Mol. Informatics 2015, 34, 608-614.
Novel N-thiazolyl piperazine-1-carboxamide CCR2 antagonists – investigation of an unexpected reaction with glutathione
106) Novel N-thiazolyl piperazine-1-carboxamide CCR2 antagonists – investigation of an unexpected reaction with glutathione. Cumming, J. G.; MacFaul, P. A.; Leach, A. G.* Med. Chem. Commun. 2015, 6, 2140-2145.
Protodeboronation of Heteroaromatic, Vinyl, and Cyclopropyl Boronic Acids: pH-Rate Profiles, Autocatalysis, and Disproportionation.
Protodeboronation of Heteroaromatic, Vinyl, and Cyclopropyl Boronic Acids: pH-Rate Profiles, Autocatalysis, and Disproportionation. Cox, P. A.; Leach, A. G.; Campbell, A. D.; Lloyd-Jones, G. C. J. Am. Chem. Soc. 2016, 138, 9145-9157.
“Matched molecular pair analysis” in Comprehensive Medicinal Chemistry III
109) “Matched molecular pair analysis” in Comprehensive Medicinal Chemistry III, Davis, A. and Edge, C. Eds. Leach, A. G.*; Lukac, I.; Zarnecka, J. M.; Dossetter, A. G.; Griffen, E. J.
MIDA boronates are hydrolysed fast and slow by two different mechanisms.
MIDA boronates are hydrolysed fast and slow by two different mechanisms. Gonzalez, J. A.; Ogba, O. M.; Morehouse, G. F.; Rosson, N.; Houk, K. N.; Leach, A. G.; Cheong, P. H.-Y.; Burke, M. D.; Lloyd-Jones, G. C. Nat. Chem. 2016, ASAP.
Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure
Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure
Leach, A. G.*; Jones, H. D.; Cosgrove, D. A.; Kenny, P. W.; Ruston, L.; MacFaul, P.; Wood, J. M.; Colclough, N.; Law, B. J. Med. Chem. 2006, 49, 6672-6682.
The rise of the intelligent machines in drug hunting?
The rise of the intelligent machines in drug hunting? Griffen, Ed. Future Medicinal Chemistry (2009), 1(3), 405-408.
Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain
Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain
Andrew G. Leach, Elizabeth A. Pilling, Alfred A. Rabow, Simone Tomasi, Nabil Asaad, Niklaas J. Buurma, Andrew Ballard and Stefania Narduolo Med. Chem. Commun., 2012,3, 528-540.
A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds
A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds – identification of those isosteres more likely to have beneficial effects, Alexander G. Dossetter, Adam Douglas and Charles O’Donnell, Med. Chem. Commun., 2012,3, 1164-1169.
A first draft of a Medicinal Chemistry ADMET Encyclopedia?
A first draft of a Medicinal Chemistry ADMET Encyclopedia?; Linked In Pulse https://www.linkedin.com/pulse/first-draft-medicinal-chemistry-admet-encyclopedia-ed-griffen/
Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA)
Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA); J. Med. Chem. http://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.7b00935
Patents
Conference Talks
Publications
Medicinal chemistry optimisation of kinetics” in Kinetics and Thermodynamics of Drug Binding
101) Medicinal chemistry optimisation of kinetics” in Kinetics and Thermodynamics of Drug Binding, Keseru, G. M. and Swinney, D., eds. Waring, M. J.; Leach, A. G.; Miller, D. 2015.
Tactics to avoid inhibition of cytochrome P450s” in Tactics in Contemporary Drug Design
101) Tactics to avoid inhibition of cytochrome P450s” in Tactics in Contemporary Drug Design, Meanwell, N., ed. Leach, A. G.* 2015, 107-158.
Discovery of a series of 2-(pyridinyl)pyrimidines as potent antagonists of GPR40.
102) Discovery of a series of 2-(pyridinyl)pyrimidines as potent antagonists of GPR40.
Waring, M. J.; Baker, D. J.; Bennett, S. N. L. Dossetter, A. G.; Fenwick, M.; Garcia, R.; Georgsson, J.; Groombridge, S.D.; Loxham, S; MacFaul, P.A.; Maskill, K. G.; Morgan, D.; Morrell, J.; Pointon, H.; Robb, G. R.; Smith, D. M.; Stokes, S.; Wilkinson, G.
Med. Chem. Commun., 2015, 6, 1024-1029
An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer.
103) An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer.
Colley, H. E.; Muthana, M.; Danson, S. J.; Jackson, L. V.; Brett, M. L.; Harrison, J.; Coole, S. F.; Mason, D. P.; Jennings, L. R.; Wong, M.; Tulasi, V.; Norman, D.; Lockey, P. M.; Williams, L.; Dossetter, A. G.; Griffen, E.J.; Thompson, M. J.
Department of Chemistry, University of Sheffield , Brook Hill, Sheffield S3 7HF, U.K.
J. Med. Chem. 2015, 58, 9309-33.
A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state.
104) A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state. Noonan, G.; Leach, A. G.* Org. Biomol. Chem. 2015, 13, 2555-2560.
Designing hydroxamates and reversed hydroxamates to inhibit zinc-containing proteases but not cytochrome P450s: insights from quantum mechanics and protein-ligand crystal structures
105) Designing hydroxamates and reversed hydroxamates to inhibit zinc-containing proteases but not cytochrome P450s: insights from quantum mechanics and protein-ligand crystal structures. Barker, C.; Lukac, I.; Leach, A. G.* Mol. Informatics 2015, 34, 608-614.
Novel N-thiazolyl piperazine-1-carboxamide CCR2 antagonists – investigation of an unexpected reaction with glutathione
106) Novel N-thiazolyl piperazine-1-carboxamide CCR2 antagonists – investigation of an unexpected reaction with glutathione. Cumming, J. G.; MacFaul, P. A.; Leach, A. G.* Med. Chem. Commun. 2015, 6, 2140-2145.
Protodeboronation of Heteroaromatic, Vinyl, and Cyclopropyl Boronic Acids: pH-Rate Profiles, Autocatalysis, and Disproportionation.
Protodeboronation of Heteroaromatic, Vinyl, and Cyclopropyl Boronic Acids: pH-Rate Profiles, Autocatalysis, and Disproportionation. Cox, P. A.; Leach, A. G.; Campbell, A. D.; Lloyd-Jones, G. C. J. Am. Chem. Soc. 2016, 138, 9145-9157.
“Matched molecular pair analysis” in Comprehensive Medicinal Chemistry III
109) “Matched molecular pair analysis” in Comprehensive Medicinal Chemistry III, Davis, A. and Edge, C. Eds. Leach, A. G.*; Lukac, I.; Zarnecka, J. M.; Dossetter, A. G.; Griffen, E. J.
MIDA boronates are hydrolysed fast and slow by two different mechanisms.
MIDA boronates are hydrolysed fast and slow by two different mechanisms. Gonzalez, J. A.; Ogba, O. M.; Morehouse, G. F.; Rosson, N.; Houk, K. N.; Leach, A. G.; Cheong, P. H.-Y.; Burke, M. D.; Lloyd-Jones, G. C. Nat. Chem. 2016, ASAP.
Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure
Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure
Leach, A. G.*; Jones, H. D.; Cosgrove, D. A.; Kenny, P. W.; Ruston, L.; MacFaul, P.; Wood, J. M.; Colclough, N.; Law, B. J. Med. Chem. 2006, 49, 6672-6682.
The rise of the intelligent machines in drug hunting?
The rise of the intelligent machines in drug hunting? Griffen, Ed. Future Medicinal Chemistry (2009), 1(3), 405-408.
Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain
Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain
Andrew G. Leach, Elizabeth A. Pilling, Alfred A. Rabow, Simone Tomasi, Nabil Asaad, Niklaas J. Buurma, Andrew Ballard and Stefania Narduolo Med. Chem. Commun., 2012,3, 528-540.
A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds
A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds – identification of those isosteres more likely to have beneficial effects, Alexander G. Dossetter, Adam Douglas and Charles O’Donnell, Med. Chem. Commun., 2012,3, 1164-1169.
A first draft of a Medicinal Chemistry ADMET Encyclopedia?
A first draft of a Medicinal Chemistry ADMET Encyclopedia?; Linked In Pulse https://www.linkedin.com/pulse/first-draft-medicinal-chemistry-admet-encyclopedia-ed-griffen/
Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA)
Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA); J. Med. Chem. http://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.7b00935