D. Manallack

发表

Neural networks in drug discovery: Have they lived up to their promise?

D. Manallack, D. Livingstone, 1999 .

Selecting Screening Candidates for Kinase and G Protein-Coupled Receptor Targets Using Neural Networks

Martyn G. Ford, David C. Whitley, Emanuela Gancia, 2002, J. Chem. Inf. Comput. Sci..

Statistics using neural networks: chance effects.

D. Manallack, D. Livingstone, 1993, Journal of medicinal chemistry.

Selecting Screening Candidates for Kinase and G Protein‐Coupled Receptor Targets Using Neural Networks.

D. Manallack, D. Livingstone, W. Pitt, 2002 .

The Acid/Base Profile of the Human Metabolome and Natural Products

D. Manallack, R. Prankerd, D. Chalmers, 2013, Molecular informatics.

Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to Phenols and Carboxylic Acids.

Emanuela Gancia, Benjamin G Tehan, David T. Manallack, 2002 .

Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 2: Application to Amines, Anilines and Various Nitrogen Containing Heterocyclic Compounds.

Emanuela Gancia, Benjamin G Tehan, David T. Manallack, 2002 .

Drug Targeting of α-Synuclein Oligomerization in Synucleinopathies

D. Manallack, T. Outeiro, A. Kazantsev, 2007 .

Scaffold hopping in de novo design. Ligand generation in the absence of receptor information.

Philip M Dean, N. P. Todorov, David G Lloyd, 2004, Journal of medicinal chemistry.

The significance of acid/base properties in drug discovery.

Tudor I. Oprea, Elizabeth Yuriev, Tudor I Oprea, 2013, Chemical Society reviews.

Lipophilicity of Beta‐Adrenocepter Antagonists: A New Classification Scheme for Clinical Use

D. Manallack, Susan E. Northfield, 2007 .

A Chemogenomic Analysis of Ionization Constants—Implications for Drug Discovery

Tudor I. Oprea, Oleg Ursu, Tudor I Oprea, 2013, ChemMedChem.

Quantitative Structure-Activity Relationships of Nicotinic Agonists

D. Manallack, D. Livingstone, T. Gallagher, 1996 .

Getting that hit: 3D database searching in drug discovery

David T. Manallack, D. Manallack, 1996 .

Structural Analyses Predict the Primary Pharmacophore and Secondary Sites for the D2 Receptor

D. Manallack, P. Beart, 1988 .

Artificial neural networks: Application and chance effects for QSAR data analysis

David J. Livingstone, David T. Manallack, D. Manallack, 1992 .

Arylsulphonyl hydroxamic acids: potent and selective matrix metalloproteinase inhibitors.

D. Manallack, W. Pitt, J. Montana, 2001, Bioorganic & medicinal chemistry letters.

Prediction of drug solubility from molecular structure using a drug-like training set

D. Manallack, D. Livingstone, J. Huuskonen, 2008, SAR and QSAR in environmental research.

Regulation of σ‐Receptors: High‐ and Low‐Affinity Agonist States, GTP Shifts, and Up‐Regulation by Rimcazole and 1,3‐Di(2‐Tolyl)guanidine

D. Manallack, R. D. O'Shea, P. Beart, 1989, Journal of neurochemistry.

The Acid/Base Profile of a Large Food Chemical Database

Mariel P Rico-Hidalgo, J. Medina-Franco, D. Manallack, 2019, Molecular informatics.

The acid/base profile of agrochemicals

D. Manallack, 2017, SAR and QSAR in environmental research.

The pKa Distribution of Drugs: Application to Drug Discovery

D. Manallack, 2007, Perspectives in medicinal chemistry.

Use of Kv1.3 blockers for inflammatory skin conditions.

D. Manallack, P. White, H. Wulff, 2010, Current medicinal chemistry.

Quantitative structure-activity relationships of (+)-anatoxin-a derivatives

D. Manallack, D. Livingstone, P. Thompson, 1994 .

Design, Synthesis and Testing of Novel Inhibitors of Cell Adhesion

D. Manallack, J. Montana, R. Hubbard, 2000 .

The design, synthesis, and evaluation of novel conformationally rigid analogues of sialyl Lewisx

D. Manallack, J. Montana, R. Hubbard, 1998 .

Phosphorylation of the dimeric cytoplasmic domain of the phytosulfokine receptor, PSKR1.

Ludivine A. Thomas, D. Manallack, K. Lilley, 2016, The Biochemical journal.

The acid–base profile of a contemporary set of drugs: implications for drug discovery

D. Manallack, 2009, SAR and QSAR in environmental research.

Inhibition of DYRK1A disrupts neural lineage specificationin human pluripotent stem cells

Spencer J. Williams, E. Stanley, D. Manallack, 2017, eLife.

Assessment of the pharmacological properties of 5‐methoxyindole derivatives at 5‐HT4 receptors

D. Manallack, J. D. Iulio, H. Irving, 2012, The Journal of pharmacy and pharmacology.

Synthesis of Quinoline Derivatives as 5-HT4 Receptor Ligands

D. Manallack, H. Irving, I. Berque-Bestel, 2009 .

The synthesis of novel structural analogues of sialyl Lewisx

D. Manallack, J. Montana, R. Hubbard, 1998 .

Synthesis and preliminary screening of novel indole-3-methanamines as 5-HT4 receptor ligands.

D. Manallack, H. Irving, I. Berque-Bestel, 2009, European journal of medicinal chemistry.

Di-tert-butyl N-[2,6-bis(methoxymethoxy)phenyl]iminodiacetate

Ian T. Crosby, David T. Manallack, Craig M. Forsyth, 2009, Acta crystallographica. Section E, Structure reports online.

The next generation of phosphodiesterase inhibitors: structural clues to ligand and substrate selectivity of phosphodiesterases.

David T Manallack, D. Manallack, P. Thompson, 2005, Journal of medicinal chemistry.

Simplified platensimycin analogues as antibacterial agents

D. Manallack, Caron K. Ku, I. T. Crosby, 2012 .

Multivariate QSAR and Computational Chemistry: A Novel Receptor Model of the D1 Agonist Binding Site

David T. Manallack, D. Manallack, 1994 .

(S)-(−)-Fluorenylethylchloroformate (FLEC); preparation using asymmetric transfer hydrogenation and application to the analysis and resolution of amines

D. Manallack, P. Thompson, D. Chalmers, 2019, Tetrahedron.

D1927 and D2163

D. Manallack, J. Montana, R. Jackson, 2001 .

Chiral recognition of structurally related aminoalkylphosphonic acid derivatives on an acetylated beta-cyclodextrin bonded phase

D. Manallack, P. Camilleri, C. Reid, 1994 .

Ionization Constants and Ionization Profiles

David T. Manallack, D. Manallack, J. Comer, 2007 .

Developing a Framework for Objective Structured Clinical Examinations Using the Nominal Group Technique

D. Manallack, C. Kirkpatrick, Angelina Lim, 2016, American Journal of Pharmaceutical Education.

The significance of acid/base properties in drug discovery.

Tudor I. Oprea, David K. Chalmers, David T. Manallack, 2013, Chemical Society reviews.

Calcium is the switch in the moonlighting dual function of the ligand-activated receptor kinase phytosulfokine receptor 1

Chris Gehring, David T Manallack, D. Manallack, 2014, Cell Communication and Signaling.

A Three Dimensional Receptor Model of the Dopamine D2 Receptor from Computer Graphic Analyses of D2 Agonists

D. Manallack, P. Beart, P. M. Beart, 1988, The Journal of pharmacy and pharmacology.

Database Searching for Thymidine and Thymidylate Kinase Inhibitors Using Three-dimensional Structure-based Methods

M. Delarue, D. Manallack, E. De Clercq, 2002, Journal of enzyme inhibition and medicinal chemistry.

Limitations of Functional‐Link Nets as Applied to QSAR Data Analysis

David J. Livingstone, David T. Manallack, D. Manallack, 1994 .

Visualising functional 5-HT3 receptors containing A and C subunits at or near the cell surface.

D. Manallack, C. Nowell, H. Irving, 2020, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

Identification of potent phosphodiesterase inhibitors that demonstrate cyclic nucleotide-dependent functions in apicomplexan parasites.

Christopher J. Tonkin, D. Manallack, P. Gilson, 2015, ACS chemical biology.

Subchronic administration of MK-801 in the rat decreases cortical binding of [3H]d-AP5, suggesting down-regulation of the corticalN-methyl-d-aspartate receptors

D. Manallack, D. Lodge, P. M. Beart, 1989, Neuroscience.

Calcium is the switch in the moonlighting dual function of the ligand-activated receptor kinase phytosulfokine receptor 1

D. Manallack, C. Gehring, H. Irving, 2014, Cell Communication and Signaling.

Psychotomimetic σ-opiates and PCP

D. Manallack, P. Beart, A. Gundlach, 1986 .

IRAK3 modulates downstream innate immune signalling through its guanylate cyclase activity

D. Manallack, H. Irving, A. Wong, 2019, Scientific Reports.

Analysis of the biological and molecular properties of phencyclidine-like compounds by chemometrics.

D. Manallack, D. Livingstone, P. M. Beart, 1993, Arzneimittel-Forschung.

Neural Networks and Expert Systems in Molecular Design

Robert C. Glen, David J. Livingstone, David T. Manallack, 1994 .

Journal of Cerebral Blood Flow and Metabolism Absence of N-methyl-d-aspartate Receptors on Ovine Cerebral Microvessels

D. Manallack, P. Beart, K-A. M. Sheehan, 2022 .

Homology Modeling of Human Muscarinic Acetylcholine Receptors

David K. Chalmers, David T. Manallack, Elizabeth Yuriev, 2014, J. Chem. Inf. Model..

A Consensus Neural Network-Based Technique for Discriminating Soluble and Poorly Soluble Compounds

Brian D. Hudson, Martyn G. Ford, David C. Whitley, 2003, J. Chem. Inf. Comput. Sci..

Quantitative conformational analyses predict distinct receptor sites for PCP-like and σ drugs

David T. Manallack, Philip M. Beart, D. Manallack, 1987 .

Conformational studies on (+)-anatoxin-a and derivatives

Frank E. Blaney, David T. Manallack, Timothy Gallagher, 1992, J. Comput. Aided Mol. Des..

Comparison of moonlighting guanylate cyclases: roles in signal direction?

David T Manallack, D. Manallack, H. Irving, 2014, Biochemical Society transactions.

Receptor site topographies for phencyclidine-like and sigma drugs: predictions from quantitative conformational, electrostatic potential, and radioreceptor analyses.

D. Manallack, P. Andrews, M. Costa, 1988, Molecular pharmacology.

The use of local surface properties for molecular superimposition

David T Manallack, D. Manallack, 2008, Journal of molecular modeling.

Data modelling with neural networks: Advantages and limitations

Igor V. Tetko, David J. Livingstone, David T. Manallack, 1997, J. Comput. Aided Mol. Des..

Structure-activity relationship exploration of Kv1.3 blockers based on diphenoxylate.

D. P. Jenkins, D. Manallack, H. Wulff, 2012, Bioorganic & medicinal chemistry letters.

Synthesis and evaluation of dithiolethiones as novel cyclooxygenase inhibitors.

Spencer J. Williams, D. Manallack, B. Jarrott, 2009, Bioorganic & medicinal chemistry letters.

Evidence for heterogenous glycine domains but conserved multiple states of the excitatory amino acid recognition site of the NMDA receptor: regional binding studies with [3H]glycine and [3H]L-glutamate

D. Manallack, E. Conway, P. Beart, 1991, Experimental Brain Research.

COMPARISON OF THE PROPERTIES OF [3H]‐d‐2‐AMINO‐5‐PHOSPHONOPENTANOIC ACID AND [3H]‐dl‐2‐AMINO‐7‐PHOSPHONOHEPTANOIC ACID BINDING TO HOMOGENATES OF RAT CEREBRAL CORTEX

D. Manallack, P. Beart, K-A. M. Sheehan, 1989, Clinical and experimental pharmacology & physiology.

The influence and manipulation of acid/base properties in drug discovery.

Elizabeth Yuriev, David K Chalmers, David T Manallack, 2018, Drug discovery today. Technologies.

Thiophene inhibitors of PDE4: crystal structures show a second binding mode at the catalytic domain of PDE4D2.

D. Manallack, M. Parker, C. Morton, 2011, Bioorganic & medicinal chemistry letters.

Modelling Inhalational Anaesthetics Using Bayesian Feature Selection and QSAR Modelling Methods

David A Winkler, Frank R Burden, David T Manallack, 2010, ChemMedChem.

D1927 and D2163: Novel Mercaptoamide Inhibitors of Matrix Metalloproteinases

D. Manallack, J. Montana, R. Jackson, 2000 .

Mutations in the Vicinity of the IRAK3 Guanylate Cyclase Center Impact Its Subcellular Localization and Ability to Modulate Inflammatory Signaling in Immortalized Cell Lines

D. Manallack, C. Galea, T. Velkov, 2023, International journal of molecular sciences.

The use of neural networks for data analysis in QSAR: Chance effects

David J. Livingstone, David T. Manallack, D. Manallack, 1993 .

Bacterial Fatty Acid Synthesis: Effect of Tween 80 on Antibiotic Potency Against Streptococcus Agalactiae and Methicillin-Resistant Staphylococcus Aureus

D. Manallack, Caron K. Ku, I. T. Crosby, 2014 .

Platensimycin: a promising antimicrobial targeting fatty acid synthesis.

D. Manallack, I. T. Crosby, B. Capuano, 2008, Current medicinal chemistry.

Up-regulation of rat cortical σ receptors after subchronic administration of rimcazole and 1,3-di(2-tolyl)guanidine

D. Manallack, P. M. Beart, 1988, Neuropharmacology.

Ionic regulation of the binding of dl-2-amino-7-phosphono-[4,5-3H]heptanoic acid to synaptosome-enriched homogenates of rat cerebral cortex

D. Manallack, P. Beart, 1986, Neuroscience Letters.

A comparison between the in vivo and in vitro activity of five potent and competitive NMDA antagonists

D. Manallack, N. Young, D. Lodge, 1988, British journal of pharmacology.

Analysis of linear and nonlinear QSAR data using neural networks.

D. Manallack, D. Livingstone, D T Manallack, 1994, Journal of medicinal chemistry.

Theoretical hydrogen bonding parameters for drug design.

D. Manallack, E. Gancia, J. Montana, 2001, Journal of molecular graphics & modelling.

Mercaptoacyl matrix metalloproteinase inhibitors: The effect of substitution at the mercaptoacyl moiety

D. Manallack, J. Montana, S. Neidle, 1997 .

Comparison of moonlighting guanylate cyclases: roles in signal direction?

D. Manallack, H. Irving, J. Wheeler, 2014, Biochemical Society transactions.

The discovery of hidden guanylate cyclases (GCs) in the Homo sapiens proteome

D. Manallack, J. Wheeler, I. Turek, 2023, Computational and Structural Biotechnology Journal.

David T. Manallack, Philip E. Thompson, Brittany L. Howard, 2011, J. Comput. Aided Mol. Des..

Identification of potent phosphodiesterase inhibitors that demonstrate cyclic nucleotide-dependent functions in apicomplexan parasites.

Christopher J. Tonkin, D. Manallack, P. Gilson, 2015, ACS chemical biology.