subject area of

• β-Amino Acids: Versatile Peptidomimetics  Academic Article
• 'Click' assembly of glycoclusters and discovery of a trehalose analogue that retards Aβ40 aggregation and inhibits Aβ40-induced neurotoxicity  Academic Article
• (Methylthio)phenol semiochemicals are exploited by deceptive orchids as sexual attractants for Campylothynnus thynnine wasps  Academic Article
• 1,3-Phenylene bis(ketoacid) derivatives as inhibitors of Escherichia coli dihydrodipicolinate synthase  Academic Article
• 11C labelling of AG957?a potential tyrphostin radiotracer for PET  Academic Article
• 2-(Tetrahydrofuran-2-yl)acetic Acid and Ester Derivatives as Long-Range Pollinator Attractants in the Sexually Deceptive Orchid Cryptostylis ovata  Academic Article
• 2-Methoxyestradiol – a unique blend of activities generating a new class of anti-tumour/anti-inflammatory agents  Academic Article
• 9-Aminoacridine-EDTA conjugates as hydroxy radical footprinting reagents with no intrinsic cutting specificity  Academic Article
• A Bright Future for Evolutionary Methods in Drug Design  Academic Article
• A Chemically Intuitive Molecular Index Based on the Eigenvalues of a Modified Adjacency Matrix  Academic Article
• A Massive in Silico Study of Noble Gas Binding to the Structural Proteome  Academic Article
• A New Class of Blockers of the Voltage-Gated Potassium Channel Kv1.3 via Modification of the 4- or 7-Position of Khellinone  Academic Article
• A New Sesquiterpene/Phenol from the Australian Marine Brown Alga Perithalia caudata  Academic Article
• A Novel Aspochalasin with HIV-1 Integrase Inhibitory Activity from Aspergillus flavipes  Academic Article
• A PIM2 analogue suppresses allergic airway disease  Academic Article
• A Phenotypic High-Content Screening Assay to Identify Regulators of Membrane Protein Localization  Academic Article
• A Role for Glutathione in the Pathophysiology of Bipolar Disorder and Schizophrenia? Animal Models and Relevance to Clinical Practice  Academic Article
• A cinchonidine derivative for photoaffinity labelling of proteins  Academic Article
• A comparison of novel organoiridium(III) complexes and their ligands as a potential treatment for prostate cancer  Academic Article
• A modelling procedure for the analysis of dynamic drug-DNA interactions probed during active transcription of the DNA  Academic Article
• A novel achiral seco-cyclopropylpyrido[e]indolone (CPyI) analog of CC-1065 and the duocarmycins: Synthesis, DNA interactions, in vivo anticancer and anti-parasitic evaluation  Academic Article
• A simplified protocol for the automated production of succinimidyl 4-[ ¹⁸F]fluorobenzoate on an IBA Synthera module  Academic Article
• Adriamycin-induced inhibition of mitochondrial-encoded polypeptides as a model system for the identification of hotspots for DNA-damaging agents  Academic Article
• Advancing medical education: Connecting interprofessional collaboration and education opportunities with integrative medicine initiatives to build shared learning  Academic Article
• Aggregation-induced emission photosensitizers: from molecular design to photodynamic therapy  Academic Article
• An Optimal Self-Pruning Neural Network and Nonlinear Descriptor Selection in QSAR  Academic Article
• Analysis of anti-PDE3 activity of 2-morpholinochromone derivatives reveals multiple mechanisms of anti-platelet activity  Academic Article
• Anti-Cancer Agents in Medicinal Chemistry  Journal
• Apical Membrane Antigen 1 as an Anti-Malarial Drug Target  Academic Article
• Approaches to Selective Peptidic Inhibitors of Factor Xa  Academic Article
• Artificial Neural Network (ANN) Based Modelling for D1 Like and D2 Like Dopamine Receptor Affinity and Selectivity  Academic Article
• Artificial Neural Network Modeling of Phytoestrogen Binding to Estrogen Receptors  Academic Article
• Artificial Neural Networks to Optimize Formulation Components of a Fixed- Dose Combination of Rifampicin, Isoniazid and Pyrazinamide in a Microemulsion  Academic Article
• Assay and Drug Development Technologies  Journal
• Assessing Pearl Quality Using Reflectance UV-Vis Spectroscopy: Does the Same Donor Produce Consistent Pearl Quality?  Academic Article
• Atomistic Topological Indices Applied to Benzodiazepines using Various Regression Methods  Academic Article
• Atomistic topological indices applied to benzodiazepines using various regression methods  Academic Article
• Australian Natural Therapists and Mental Health: Survey of Treatment Approaches and Referral Patterns  Academic Article
• Automated production of [F-18] 2-fluoroethyl azide and a thymidine analogue using the Synthera module  Conference Paper
• Automated radiosynthesis of [68Ga]Ga-PSMA-11 and [177Lu] Lu-PSMA-617 on the iPHASE MultiSyn module for clinical applications  Academic Article
• Automated radiosynthesis of [Lu-177] Lu-PSMA-617 on the iPHASE MultiSyn module  Conference Paper
• BF3 etherate catalysed formation of[11C]methyl esters: a novel radiolabelling technique  Academic Article
• Barminomycin, a Model for the Development of New Anthracyclines  Academic Article
• Basimarols A, B, and C, Highly Oxygenated Pimarane Diterpenoids from Basilicum polystachyon  Academic Article
• Bayesian neural nets for modeling in drug discovery  Academic Article
• Beware of R²: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models  Academic Article
• Binding Inhibitors of the Bacterial Sliding Clamp by Design  Academic Article
• Biomimetic Approaches Towards the Synthesis of Complex Dimeric Natural Products  Academic Article
• Bioorganic and Medicinal Chemistry  Journal
• Bioorganic and Medicinal Chemistry Letters  Journal
• Biophysical and biological evaluation of porphyrin-bisacridine conjugates  Academic Article
• Birinapant, a Smac-Mimetic with Improved Tolerability for the Treatment of Solid Tumors and Hematological Malignancies  Academic Article
• Broad-Based Quantitative Structure−Activity Relationship Modeling of Potency and Selectivity of Farnesyltransferase Inhibitors Using a Bayesian Regularized Neural Network  Academic Article
• C-11 LABELLING AND BIODISTRIBUTION OF AG1478  Conference Paper
• Can thioglycosides imitate the oxonium intermediate in glycosyl hydrolases?  Academic Article
• Capturing the Crystal: Prediction of Enthalpy of Sublimation, Crystal Lattice Energy, and Melting Points of Organic Compounds  Academic Article
• ChemMedChem: chemistry enabling drug discovery  Journal
• Chemical Biology and Drug Design  Journal
• Chemistry Central Journal  Journal
• Chinese therapeutic strategy for fighting COVID-19 and potential small-molecule inhibitors against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)  Academic Article
• Circular Micro-Proteins and Mechanisms of Cyclization  Academic Article
• Combined modified atmosphere packaging and low temperature storage delay lignification and improve the defense response of minimally processed water bamboo shoot  Academic Article
• Comparison of Linear and Nonlinear Classification Algorithms for the Prediction of Drug and Chemical Metabolism by Human UDP-Glucuronosyltransferase Isoforms  Academic Article
• Computational modelling of magnetic nanoparticle properties and in vivo responses  Academic Article
• Conformational analysis of the ergot alkaloids ergotamine and ergotaminine  Academic Article
• Conformational energy calculations and electrostatic potentials of dihydrofolate reductase ligands: relevance to mode of binding and species specificity  Academic Article
• Correction to Capturing the Crystal: Prediction of Enthalpy of Sublimation, Crystal Lattice Energy, and Melting Points of Organic Compounds (vol 53, pg 223, 2013)  Erratum
• Corrigendum: Performance of Deep and Shallow Neural Networks, the Universal Approximation Theorem Activity Cliffs, and QSAR (vol 36, 1600118, 2017)  Erratum
• Current Bioactive Compounds  Journal
• Current Drug Discovery Technologies  Journal
• Current Medicinal Chemistry  Journal
• Current Opinion in Drug Discovery and Development  Journal
• Current Pharmaceutical Design  Journal
• Current Topics in Medicinal Chemistry  Journal
• Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target  Academic Article
• Cyclic Peroxides and Related Norterpenes from a Southern Australian Marine Sponge,Mycalesp.  Academic Article
• Cyclic peptides in seed of Annona muricata are ribosomally synthesized  Academic Article
• Cytotoxic and DNA binding properties of aminoalkyl derivatives of di- and triazaphenanthrenes  Academic Article
• De-Novo Designed Library of Benzoylureas as Inhibitors of BCL-XL: Synthesis, Structural and Biochemical Characterization  Academic Article
• Decoding the Rich Biological Properties of Noble Gases: How Well Can We Predict Noble Gas Binding to Diverse Proteins?  Academic Article
• Densitometric determination of monoterpenoids in melissa extracts  Academic Article
• Design of potential anti-HIV agents. 1. Mannosidase inhibitors  Academic Article
• Design, synthesis and biological evaluation of new 3-[(4-aryl)piperazin-1-yl]-1-arylpropane derivatives as potential antidepressants with a dual mode of action: serotonin reuptake inhibition and 5-HT1A receptor antagonism  Academic Article
• Design, synthesis, and DNA sequence selectivity of formaldehyde-mediated DNA-adducts of the novel N-(4-aminobutyl) acridine-4-carboxamide  Academic Article
• Detection of Labile Anthracycline–DNA Adducts By Real-Time PCR  Academic Article
• Determining the necessity of phenyl ring π-character in warfarin  Academic Article
• Development of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-([F-18] fluoroalkyl)-3-substituted-2-methoxybenzamides as potential dopamine D-2 radiotracers for PET  Conference Paper
• Development of Pluronic Micelle-Encapsulated Doxorubicin and Formaldehyde-Releasing Prodrugs for Localized Anticancer Chemotherapy  Academic Article
• Development of mTORC1 specific agents for evaluation of HER2 targeted therapy using PET  Conference Paper
• Dictyosphaerin:  A Novel Bicyclic Lipid from a Southern Australian Marine Green Algae,Dictyosphaeria sericea  Academic Article
• Discovery of (Z)-2-phenyl-3-(1H-pyrrol-2-yl)acrylonitrile derivatives active against Haemonchus contortus and Ctenocephalides felis (cat flea)  Academic Article
• Discovery of 7-hydroxy-6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)benzo[ b ]furan (BNC105), a tubulin polymerization inhibitor with potent antiproliferative and tumor vascular disrupting properties  Academic Article
• Discovery of Potential Sorbitol Dehydrogenase Inhibitors from Virtual Screening  Academic Article
• Discovery of Tetrasubstituted Pyrazines As Semiochemicals in a Sexually Deceptive Orchid  Academic Article
• Discovery of [18F]N-(2-(Diethylamino)ethyl)-6-fluoronicotinamide: A Melanoma Positron Emission Tomography Imaging Radiotracer with High Tumor to Body Contrast Ratio and Rapid Renal Clearance  Academic Article
• Discovery of potent and selective benzothiazole hydrazone inhibitors of Bcl-XL  Academic Article
• Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target  Academic Article
• Drimane Sesquiterpene-Conjugated Amino Acids from a Marine Isolate of the Fungus Talaromyces minioluteus (Penicillium Minioluteum)  Academic Article
• Drug Design and Discovery  Journal
• Drug Discovery Today  Journal
• Drug Discovery Today: BIOSILICO  Journal
• DrugMiner: comparative analysis of machine learning algorithms for prediction of potential druggable proteins  Academic Article
• Drugs of the Future  Journal
• Dual and/or selective DNA-PK, PI3K inhibition and isoform selectivity of some new and known 2-amino-substituted-1,3-benzoxazines and substituted-1,3-naphthoxazines  Academic Article
• Effect of Structural Stress on the Flexibility and Adaptability of HIV-1 Protease  Academic Article
• Efficacy of peptide nucleic acid and selected conjugates against specific cellular pathologies of amyotrophic lateral sclerosis  Academic Article
• Efficient discovery of immune response targets by cyclical refinement of QSAR models of peptide binding  Academic Article
• Electron-Deficient DNA Intercalating Agents as Antitumor Drugs: Aza Analogs of the Experimental Clinical Agent N-[2-(Dimethylamino)ethyl]acridine-4-carboxamide  Academic Article
• Epitope Discovery and Their Use in Peptide Based Vaccines  Academic Article
• European Journal of Medicinal Chemistry  Journal
• Exploration of 3-methylisoquinoline-4-carbonitriles as protein kinase A inhibitors of Plasmodium falciparum  Academic Article
• Exploring inhibitor release pathways in histone deacetylases using random acceleration molecular dynamics simulations  Academic Article
• F-18 labelledN,N-bis-haloethylamino-phenylsulfoxides — a new class of compounds for the imaging of hypoxic tissue  Academic Article
• Fitoterapia  Journal
• Flavonols and Flavones – Protecting Against Myocardial Ischemia/ Reperfusion Injury by Targeting Protein Kinases  Academic Article
• Fluorinated benzamide neuroleptics. 1. Radiosynthesis of (S)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(2[F-18]fluoroethyl)-2-methoxybenzamide: A potential fluorine-18 labeled PET radiotracer for dopamine D2 receptors  Academic Article
• Fluorine-18 radiolabeling of a nitrophenyl sulfoxide and its evaluation in an SK-RC-52 model of tumor hypoxia  Academic Article
• Foreword  Academic Article
• Foreword  Academic Article
• Formaldehyde-Releasing Prodrugs in Combination With Adriamycin Can Overcome Cellular Drug Resistance  Academic Article
• Formaldehyde-activated WEHI-150 induces DNA interstrand crosslinks with unique structural features  Academic Article
• Formation of Mitoxantrone Adducts in Human Tumor Cells: Potentiation by AN-9 and DNA Methylation  Academic Article
• Fully automated Click radiolabeling and the synthesis and coupling of [F-18]FBEM to glutathione using the iPhase Flexlab module  Conference Paper
• Fully automated synthesis and coupling of [¹⁸F]FBEM to glutathione using the iPHASE FlexLab module  Academic Article
• Fully automated synthesis of [¹⁸F]fluoro-dihydrotestosterone ([¹⁸F]FDHT) using the FlexLab module  Academic Article
• Further Studies on the Chemistry of the Flustra Alkaloids from the BryozoanFlustra foliacea  Academic Article
• Future Medicinal Chemistry  Journal
• Getting to the source: selective drug targeting of cancer stem cells  Academic Article
• HDL Therapy: Two Kinds of Right?  Academic Article
• Heterocyclic acyl-phosphate bioisostere-based inhibitors of Staphylococcus aureus biotin protein ligase  Academic Article
• High-Performance Thin-Layer Chromatography Hyphenated with Microchemical and Biochemical Derivatizations in Bioactivity Profiling of Marine Species  Academic Article
• High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat:  Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor  Academic Article
• Hippospongins A−F:  New Furanoterpenes from a Southern Australian Marine SpongeHippospongiasp.  Academic Article
• Holographic Neural Networks as Nonlinear Discriminants for Chemical Applications  Academic Article
• Holographic QSAR of Benzodiazepines  Academic Article
• Host andPorphyromonas gingivalis proteinases in periodontitis: A biochemical model of infection and tissue destruction  Academic Article
• IMAGING OF THE EGF RECEPTOR IN A431 TUMOR BEARING MICE USING C-11 AG1478  Conference Paper
• IN VITRO AND IN VIVO EVALUATION OF HYDROPHILIC 64CU-BIS(THIOSEMICARBAZONE) BIOCONJUGATES FOR PET IMAGING OF HYPOXIA  Conference Paper
• Identification and Bioactivity of 3- epi -Xestoaminol C Isolated from the New Zealand Brown Alga Xiphophora chondrophylla  Academic Article
• Identification and characterization of a peptide from the stony coral Heliofungia actiniformis  Academic Article
• Identification of the binding site of apical membrane antigen 1 (AMA1) inhibitors using a paramagnetic probe  Academic Article
• Il Farmaco  Journal
• Illuminating flash point: comprehensive prediction models  Academic Article
• Immunoactive Polysaccharide-Rich Fractions from Panax notoginseng  Academic Article
• Implementation of an in vitro assay for phase 1 metabolism of PET radiotracers  Conference Paper
• In silico investigation into the interactions between murine 5-HT3 receptor and the principle active compounds of ginger (Zingiber officinale)  Academic Article
• In silico study of the radical scavenging activities of natural indole-3-carbinols  Academic Article
• Influence of Sulfobutylether-β-Cyclodextrin on the Stability of S- and Romeprazole  Academic Article
• Inhibiting Protein-Protein Interactions as an Emerging Paradigm for Drug Discovery  Academic Article
• Inhibiting dihydrodipicolinate synthase across species: Towards specificity for pathogens?  Academic Article
• Inhibition of Heme Detoxification Processes Underlies the Antimalarial Activity of Terpene Isonitrile Compounds from Marine Sponges  Academic Article
• International Journal of Peptide and Protein Research  Journal
• Interpreting the Possible Ecological Role(s) of Cyanotoxins: Compounds for Competitive Advantage and/or Physiological Aide?  Academic Article
• Introduction and foreword to the special issue on computational drug design and informatics  Academic Article
• Irreversible inhibition of dihydrodipicolinate synthase by 4-oxo-heptenedioic acid analogues  Academic Article
• Isoflavones, Equol and Cardiovascular Disease: Pharmacological and Therapeutic Insights  Academic Article
• Journal of Antibiotics: an international journal devoted to research on bioactive microbial products  Journal
• Journal of Chemical Information and Modeling  Journal
• Journal of Complementary and Integrative Medicine  Journal
• Journal of Computer-Aided Molecular Design  Journal
• Journal of Enzyme Inhibition and Medicinal Chemistry  Journal
• Journal of Labelled Compounds and Radiopharmaceuticals  Journal
• Journal of Medicinal Chemistry  Journal
• Journal of Molecular Graphics and Modelling  Journal
• Journal of Natural Products  Journal
• Lactam-Stabilized Helical Analogues of the Analgesic μ-Conotoxin KIIIA  Academic Article
• Latifolians A and B, Novel JNK3 Kinase Inhibitors from the Papua New Guinean PlantGnetumlatifolium  Academic Article
• Latifolians A and B, novel JNK3 kinase inhibitors from the Papua New Guinean plant Gnetum latifolium  Academic Article
• Letters in Drug Design and Discovery  Journal
• Ligand entropy is hard but shouldn’t be ignored  Academic Article
• Ligand-Induced Conformational Change of Plasmodium falciparum AMA1 Detected Using F-19 NMR  Academic Article
• Machine learning on adverse drug reactions for pharmacovigilance  Academic Article
• Mapping Analytic Functions Using Neural Networks  Academic Article
• Mapping a conserved conformational epitope from the M protein of group a streptococci  Academic Article
• Marine Drugs  Journal
• Matrix Metalloproteinase Inhibitors:  A Structure−Activity Study  Academic Article
• Medicinal Chemistry  Journal
• Medicinal Chemistry Research  Journal
• Medicinal Research Reviews  Journal
• Metabolomics Reviewed:  A New “Omics” Platform Technology for Systems Biology and Implications for Natural Products Research  Academic Article
• Metals and organic compounds in the biosynthesis of cannabinoids: a chemometric approach to the analysis of Cannabis sativa samples  Academic Article
• Micropreparative protein isolation from polyacrylamide gels following detection by high-resolution dynamic imaging: application to microsequencing.  Academic Article
• Mini - Reviews in Medicinal Chemistry  Journal
• Mitoxantrone, More than Just Another Topoisomerase II Poison  Academic Article
• Modeling the Effect of Selected Cyclodextrins on Nifedipine Solubility  Academic Article
• Modeling the molecular basis for alpha 4 beta 1 integrin antagonism  Academic Article
• Modelling Atypical Small-Molecule Mimics of an Important Stem Cell Cytokine, Thrombopoietin  Academic Article
• Modelling Inhalational Anaesthetics Using Bayesian Feature Selection and QSAR Modelling Methods  Academic Article
• Modelling and predicting the biological effects of nanomaterials  Academic Article
• Modelling blood–brain barrier partitioning using Bayesian neural nets  Academic Article
• Modelling stem cell properties and fate decisions  Academic Article
• Modelling studies of the active site of human sorbitol dehydrogenase: an approach to structure-based inhibitor design of the enzyme  Academic Article
• Modelling studies on the binding of substrate and inhibitor to the active site of human sorbitol dehydrogenase  Academic Article
• Modelling topoisomerase I inhibition by minor groove binders  Academic Article
• Molecular Informatics  Journal
• Molecular Modeling Studies of “Flap Up” Mannosyl Cation Mimics  Academic Article
• Molecular Structural Characteristics of Estrogen Receptor Modulators as Determinants of Estrogen Receptor Selectivity  Academic Article
• Molecular identification number for substructure searches  Academic Article
• Molecular orbital studies of reaction mechanism and transition state structures for GABA-transaminase  Academic Article
• Morpheus: a conformation-activity relationships and receptor modeling package  Academic Article
• Mycaperoxides F and G and a Related Norterpene Ketone from Southern Australian Marine Sponges,MycaleSpecies  Academic Article
• Myeloperoxidase oxidizes mitoxantrone to metabolites which bind covalently to DNA and RNA  Academic Article
• N.alpha.-(O,O'-Diphenoxyphosphoryl)-L-alanyl-L-proline, N.alpha.-[O,O'-bis(4-nitrophenoxy)phosphoryl]-L-alanyl-L-proline and N.alpha.-[P-(2-phenylethyl)-O-phenoxyphosphoryl]-L-alanyl-L-proline: releasers of potent inhibitors of angiotensin converting enzyme at physiological pH and temperature  Academic Article
• Natural Product Research  Journal
• Neural networks in ADME and toxicity prediction  Academic Article
• New 1-Aryl-3-(4-arylpiperazin-1-yl)propane Derivatives, with Dual Action at 5-HT1ASerotonin Receptors and Serotonin Transporter, as a New Class of Antidepressants  Academic Article
• New 3-[4-(aryl)piperazin-1-yl]-1-(benzo[b]thiophen-3-yl)propane derivatives with dual action at 5-HT1A serotonin receptors and serotonin transporter as a new class of antidepressants  Academic Article
• New Anthracenedione Derivatives with Improved Biological Activity by Virtue of Stable Drug−DNA Adduct Formation  Academic Article
• New QSAR Methods Applied to Structure−Activity Mapping and Combinatorial Chemistry  Academic Article
• New insight into drug-DNA interactions at individual drug binding sites probed by RNA polymerase during active transcription of the DNA  Conference Paper
• New small molecule fluorescent probes for G protein-coupled receptors: valuable tools for drug discovery  Academic Article
• Nonclassical Phenyl Bioisosteres as effective replacements in a series of novel open-source Antimalarials  Academic Article
• Novel sparse Bayesian feature selection methods for microarray analysis and QSAR variable selection  Academic Article
• Nuclear and mitochondrial distribution of organoamidoplatinum(II) lesions in cisplatin-sensitive and -resistant adenocarcinoma cells  Academic Article
• Oncocin (VDKPPYLPRPRPPRRIYNR-NH2): A Novel Antibacterial Peptide Optimized against Gram-Negative Human Pathogens  Academic Article
• Oncology Research  Journal
• One step radiosynthesis of 4-nitrophenyl 2-[F-18]fluoropropionate ([F-18]NFP): Simplified automated preparation of the alpha(V)beta(3) integrin imaging agents [F-18]GalactoRGD and [F-18]-FPPRGD(2)  Conference Paper
• One-step radiosynthesis of 4-nitrophenyl 2-[ 18 F]fluoropropionate ([ 18 F]NFP); improved preparation of radiolabeled peptides for PET imaging  Academic Article
• Optimal Sparse Descriptor Selection for QSAR Using Bayesian Methods  Academic Article
• Overview on the Analytical Tools for Quality Control of Natural Product-Based Supplements: A Case Study of Ginseng  Academic Article
• Overview on the analytical tools for quality control of natural product-based supplements: A case study of ginseng  Academic Article
• PDE2 inhibition by the PI3 kinase inhibitor LY294002 and analogues  Academic Article
• PS – a program for the analysis of helix geometry  Academic Article
• Parasiticidal 2-alkoxy- and 2-aryloxyiminoalkyl trifluoromethanesulfonanilides  Academic Article
• Performance of Deep and Shallow Neural Networks, the Universal Approximation Theorem, Activity Cliffs, and QSAR  Academic Article
• Phosphatidylinositol mannosides: Synthesis and suppression of allergic airway disease  Academic Article
• Phytotherapy Research  Journal
• Planta Medica: natural products and medicinal plant research  Journal
• Plumbagin Downregulates Wnt Signaling Independent of p53 in Human Colorectal Cancer Cells  Academic Article
• Positioning of the Carboxamide Side Chain in 11-Oxo-11 H -indeno[1,2- b ]quinolinecarboxamide Anticancer Agents: Effects on Cytotoxicity  Academic Article
• Potent Agonists of a Hematopoietic Stem Cell Cytokine Receptor, c-Mpl  Academic Article
• Potent Inhibitors of Phosphatidylinositol 3 (PI3) Kinase that have Antiproliferative Activity Only When Delivered as Prodrug Forms  Academic Article
• Potential Therapeutic Advantages of Doxorubicin when Activated by Formaldehyde to Function as a DNA Adduct-Forming Agent  Academic Article
• Potential therapeutic targets and the role of technology in developing novel antileishmanial drugs  Academic Article
• Predictive Bayesian neural network models of MHC class II peptide binding  Academic Article
• Probing the ultra-high resolution structure of aldose reductase with molecular modelling and noncovalent mass spectrometry  Academic Article
• Progress in the Development of Platelet-Activating Factor Receptor (PAFr) Antagonists and Applications in the Treatment of Inflammatory Diseases  Academic Article
• Quantitative Structure-Activity Relationships in Insecticidal Pyrethroid Ethers  Academic Article
• Quantitative Structure−Activity Relationship Studies Using Gaussian Processes  Conference Paper
• Quantum polarized ligand docking investigation to understand the significance of protonation states in histone deacetylase inhibitors  Academic Article
• Quinazoline Sulfonamides as Dual Binders of the Proteins B-Cell Lymphoma 2 and B-Cell Lymphoma Extra Long with Potent Proapoptotic Cell-Based Activity  Academic Article
• Radiosynthesis and Biological Evaluation ofl- andd-S-(3-[18F]Fluoropropyl)homocysteine for Tumor Imaging Using Positron Emission Tomography  Academic Article
• Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX)  Academic Article
• Rapid Prediction of Chemical Metabolism by Human UDP-glucuronosyltransferase Isoforms Using Quantum Chemical Descriptors Derived with the Electronegativity Equalization Method  Academic Article
• Recent Advances in Understanding and Exploiting the Activation of Anthracyclines by Formaldehyde  Academic Article
• Recent progress towards an effective treatment of amyotrophic lateral sclerosis using the SOD1 mouse model in a preclinical setting  Academic Article
• Regioselective acylation of 3-O-angeloylingenol by Candida antarctica Lipase B  Academic Article
• Relevance Vector Machines: Sparse Classification Methods for QSAR  Academic Article
• Repurposing apoptosis-inducing cancer drugs to treat schistosomiasis  Academic Article
• Research on rules of distribution and development of traditional Chinese medicine syndromes of 2 237 HIV/AIDS cases  Academic Article
• Rhenium and technetium tricarbonyl complexes of 1,4-Substituted pyridyl-1,2,3-triazole bidentate 'click' ligands conjugated to a targeting RGD peptide  Academic Article
• Ribosome-inactivating proteins: Current status and biomedical applications  Academic Article
• Ring-substituted 11-oxo-11 H -indeno[1,2- b ]quinoline-6-carboxamides with similar patterns of cytotoxicity to the dual topo I/II inhibitor DACA  Academic Article
• Robust QSAR Models Using Bayesian Regularized Neural Networks  Academic Article
• Robust modelling of solubility in supercritical carbon dioxide using Bayesian methods  Academic Article
• SAR and QSAR in Environmental Research  Journal
• SYNTHESIS AND BIOLOGICAL EVALUATION OF N-SALICYLOYL-N-BENZYLTHIOUREA AND 2,2-DIMETHYL-4-OXO-6-METHOXYBENZO-1,3-DIOXIN  Academic Article
• SYNTHESIS AND BIOLOGICAL EVALUATION OF NOVEL FLUORO-18 LABELED POSITRON EMISSION TOMOGRAPHY (PET) IMAGING AGENTS FOR HYPOXIC TISSUES  Conference Paper
• SYNTHESIS AND RADIOLABELLING OF A NOVEL IMAGING AGENT FOR HYPOXIC TISSUE IN STROKE AND TUMOURS  Conference Paper
• Sequence specificity and reactivity of the binding of phenazine-tethered platinum complexes to DNA  Academic Article
• Sorbitol Dehydrogenase: Structure, Function and Ligand Design  Academic Article
• Sparse QSAR modelling methods for therapeutic and regenerative medicine  Academic Article
• Spectrophotometric determination of oxprenolol hydrochloride as its Fe (III) complex  Academic Article
• Strategy for the Development of a Thermodynamically Stable Oral Microemulsion  Academic Article
• Structural Studies of the Resistance of Influenza Virus Neuramindase to Inhibitors  Academic Article
• Structural requirements for the formation of anthracycline - DNA adducts  Academic Article
• Structure activity studies of truncated latrunculin analogues with anti‐malarial activity  Academic Article
• Structure guided design of biotin protein ligase inhibitors for antibiotic discovery  Academic Article
• Structure of Aldehyde Reductase Holoenzyme in Complex with the Potent Aldose Reductase Inhibitor Fidarestat:  Implications for Inhibitor Binding and Selectivity  Academic Article
• Structure-Activity Relationships for Serotonin Transporter and Dopamine Receptor Selectivity  Academic Article
• Structure-activity relations of convulsant and anticonvulsant barbiturates: a computer-graphic-based pattern-recognition analysis  Academic Article
• Structure-activity relationships in quinoline reissert derivatives with hiv-1 reverse transcriptase inhibitory activity  Academic Article
• Structure-based design of inhibitors of human l-xylulose reductase modelled into the active site of the enzyme  Academic Article
• Structure-based design of inhibitors of the rice blast fungal enzyme trihydroxynaphthalene reductase  Academic Article
• Structure-based drug design to augment hit discovery  Academic Article
• Substituted Pyridazin-3(2H)-ones as Highly Potent and Biased Formyl Peptide Receptor Agonists  Academic Article
• Synthesis and Activity of Some Antimalarial Bisquinolines  Academic Article
• Synthesis and Antitumor Properties ofN-[2-(Dimethylamino)ethyl]carboxamide Derivatives of Fused Tetracyclic Quinolines and Quinoxalines:  A New Class of Putative Topoisomerase Inhibitors  Academic Article
• Synthesis and Cytotoxic Activity of 7-Oxo-7H-dibenz[f,ij]isoquinoline and 7-Oxo-7H-benzo[e]perimidine Derivatives  Academic Article
• Synthesis and Cytotoxic Activity of Carboxamide Derivatives of Benzo[b][1,6]naphthyridines  Academic Article
• Synthesis and Preliminary Screening of Novel Tryptamines as 5-HT4 Receptor Ligands  Academic Article
• Synthesis and SAR study of novel anticancer and antimicrobial naphthoquinone amide derivatives  Academic Article
• Synthesis and anti-inflammatory activity of aromatic glucosinolates  Academic Article
• Synthesis and anti-inflammatory activity of indole glucosinolates  Academic Article
• Synthesis and antitumor activity of some indeno[1,2- b ]quinoline-based bis carboxamides  Academic Article
• Synthesis and biological evaluation of 2-anilino-4-substituted-7H-pyrrolopyrimidines as PDK1 inhibitors  Academic Article
• Synthesis and biological evaluation of 8-aryl-2-morpholino-7-O-substituted benzo[ e ][1,3]oxazin-4-ones against DNA-PK, PI3K, PDE3A enzymes and platelet aggregation  Academic Article
• Synthesis and biological evaluation of novel fluoro-18 labeled positron emission tomography (pet) imaging agents for hypoxic tissues in tumours  Conference Paper
• Synthesis and biological evaluation of phenanthrene-derived carboxamides as cytotoxic agents  Academic Article
• Synthesis and biological evaluation of substituted 3-anilino-quinolin-2(1H)-ones as PDK1 inhibitors  Academic Article
• Synthesis and cytotoxic activity of N -(2-Diethylamino)ethylcarboxamide and other derivatives of 10 H -Quindoline  Academic Article
• Synthesis and cytotoxic activity of N-[(alkylamino)alkyl]carboxamide derivatives of 7-oxo-7H-benz[de]anthracene, 7-oxo-7H-naphtho[1,2,3-de]quinoline, and 7-oxo-7H-benzo[e]perimidine  Academic Article
• Synthesis and cytotoxic activity of carboxamide derivatives of benzimidazo[2,1-a]isoquinoline and pyrido [3′, 2′: 4,5] imidazo [2,1 -a] isoquinoline  Academic Article
• Synthesis and cytotoxic activity of carboxamide derivatives of benzo[b][1,6]naphthyridin-(5H)ones  Academic Article
• Synthesis and evaluation of a pegylated F-18 labelled nitrophenyl sulfoxide for PET imaging of tumor hypoxia  Conference Paper
• Synthesis and evaluation of antibacterial activity of (R)-2-methylheptyl isonicotinate, a putative naturally occurring bioactive agent  Academic Article
• Synthesis and in Vivo Evaluation of [¹²³I]Melanin-Targeted Agents  Academic Article
• Synthesis and phototoxicity of a series of haematoporphyrin analogues  Academic Article
• Synthesis and preliminary screening of novel indole-3-methanamines as 5-HT4 receptor ligands  Academic Article
• Synthesis andin vivo evaluation in mice of [123I]-(4-fluorophenyl)[1-(3-iodophenethyl)piperidin-4-yl]methanone as a potential SPECT-tracer for the serotonin 5-HT2A receptor  Academic Article
• Synthesis of 2-[(4-[ ¹⁸F]Fluorobenzoyloxy)methyl]-1,4- naphthalenedione from 2-hydroxymethyl 1,4-naphthoquinone and 4-[ ¹⁸F]fluorobenzoic acid using dicyclohexyl carbodiimide  Academic Article
• Synthesis of Substituted Indeno[1,2-b]quinoline-6-carboxamides, [1]benzothieno[3,2-b]quinoline-4-carboxamides and 10H-quindoline-4-carboxamides: Evaluation of Structure–Activity Relationships for Cytotoxicity  Academic Article
• Synthesis of [1-2H]- and [3-2H]-guanosine  Academic Article
• Synthesis of a [¹⁸F]fluoroethyltriazolylthymidine radiotracer from [¹⁸F]2-fluoroethyl azide and 5-ethynyl-2′-deoxyuridine  Academic Article
• Synthesis of linear and angular aryl-morpholino-naphth-oxazines, their DNA-PK, PI3K, PDE3A and antiplatelet activity  Academic Article
• Synthesis of novel 1,2,5-oxadiazoles and evaluation of action against Acinetobacter baumannii  Academic Article
• Synthesis of polyamine-linked bis-daunomycin hydrazones and their interaction with DNA  Academic Article
• Synthesis, DNA-PK inhibition, anti-platelet activity studies of 2-(N-substituted-3-aminopyridine)-substituted-1,3-benzoxazines and DNA-PK and PI3K inhibition, homology modelling studies of 2-morpholino-(7,8-di and 8-substituted)-1,3-benzoxazines  Academic Article
• Synthesis, Testing and Structure-Activity Studies on a Library of 5-HT4 Ligands  Academic Article
• Synthesis, antibacterial, and DNA-PK evaluation of some novel 6-fluoro-7-(cyclic amino)-2-(thioxo or oxo)-3-substituted quinazolin-4-ones as structural analogues of quinolone and quinazolin-2,4-dione antibiotics  Academic Article
• Synthesis, antimalarial activity and inhibition of haem detoxification of novel bisquinolines  Academic Article
• Synthesis, binding and bioactivity of γ-methylene γ-lactam ecdysone receptor ligands: Advantages of QSAR models for flexible receptors  Academic Article
• Synthesis, conformational studies and biological activity of Να -mono- biotinylated rat relaxin*  Academic Article
• Synthesis, identification and antiplatelet evaluation of 2-morpholino substituted benzoxazines  Academic Article
• Synthesis, quality control andin vivo evaluation of [123I] rhTIMP-2, a potential tumour-imaging agent  Academic Article
• Synthesis, radiosynthesis and preliminaryin vivo evaluation of[123I]-(4-fluorophenyl){1-[2-(2-iodophenyl)ethyl]piperidin-4-yl}methanone, a potential 5-HT2A-antagonist for SPECT brain imaging  Academic Article
• Synthesis, structural elucidation and DNA-dependant protein kinase and antiplatelet studies of 2-amino-[5, 6, 7, 8-mono and 7, 8-di-substituted]-1,3-benzoxazines  Academic Article
• Synthesis, structural elucidation, DNA-PK inhibition, homology modelling and anti-platelet activity of morpholino-substituted-1,3-naphth-oxazines  Academic Article
• Synthesis, structure elucidation, DNA-PK and PI3K and anti-cancer activity of 8-and 6-aryl-substituted-1-3-benzoxazines  Academic Article
• Synthesis, structure elucidation, DNA-PK, PI3K, anti-platelet and anti-bacteria activity of linear 5, 6, and 10-substituted-2-morpholino-chromen-oxazine-dione and angular 3, 4, 6-substituted-8-morpholino-chromen-oxazine-2,10-dione  Academic Article
• Synthesis, structures elucidation, DNA-PK, PI3K and antiplatelet activity of a series of novel 7- or 8-(N-substituted)-2-morpholino-quinazolines  Academic Article
• Synthesis, toxicity and chemo-sensitization of HeLa cells to etoposide, of some 2-methyl amino acid ester-substituted-1,3-benzoxazines  Academic Article
• Targeting the Platelet Integrin GPIIb/IIIa  Academic Article
• The Anti Inflammatory Effects of High Density Lipoproteins  Academic Article
• The Arabinogalactan-Proteins from Pressed Juice ofEchinacea purpureaBelong to the ”Hybrid” Class of Hydroxyproline-Rich Glycoproteins  Academic Article
• The Assessment and Characterisation of Drug Plasma Protein Binding in the Body Using QSAR  Academic Article
• The Chemistry of Notheia anomala. III: Two New Methylene-Interrupted Trisepoxylipids  Academic Article
• The DNA-association and biological activity of a new bis(14-thiadaunomycin)  Academic Article
• The Role of Intracellularly Released Formaldehyde and Butyric Acid in the Anticancer Activity of Acyloxyalkyl Esters  Academic Article
• The Use of UV-Visible Reflectance Spectroscopy as an Objective Tool to Evaluate Pearl Quality  Academic Article
• The broader applications of neural and genetic modelling methods  Academic Article
• The effect of flaxseed supplementation on circulating adiponectin and leptin concentration in adults: a systematic review and meta-analysis of randomized controlled trials  Academic Article
• The effect of synbiotic supplementation on anthropometric indices, appetite, and constipation in people with hypothyroidism: A randomized, double-blind, placebo-controlled trial  Academic Article
• The medical significance of physiological cell death  Academic Article
• The nucleophilic addition/electrophilic ring closure route to bio-active heterocycles  Academic Article
• The role of non-starchy polysaccharides ("soluble" dietary fibre), in particular (1,3;1,4)-beta-glucans and arabinoxylans, in promoting bowel health  Conference Paper
• The unique DNA cutting sequence specificity of a 4-(N,N-dimethyl-2-aminoethyl)amino-1,10-phenanthroline and its 9-aminoacridine conjugate  Academic Article
• Toward Novel Universal Descriptors: Charge Fingerprints  Academic Article
• Transition State Mimetics of the Plasmodium Export Element Are Potent Inhibitors of Plasmepsin V from P-falciparum and P-vivax  Academic Article
• Transition-state analogues as inhibitors for GABA-aminotransferase  Academic Article
• Tripeptide Motifs in Biology: Targets for Peptidomimetic Design  Academic Article
• Tritium nuclear magnetic resonance spectroscopy. Part IV[ref. (1)]. Distribution of tritium in [G-3H] phenylalanine and other amino acids  Academic Article
• Tritium nuclear magnetic resonance. Part V.1 distribution of tritium in labelled polycyclic hydrocarbons  Academic Article
• Truncated Latrunculins as Actin Inhibitors Targeting Plasmodium falciparum Motility and Host Cell Invasion  Academic Article
• Understanding the Roles of the "two QSARs"  Academic Article
• Use of Automatic Relevance Determination in QSAR Studies Using Bayesian Neural Networks  Academic Article
• Use of microbore high-performance liquid chromatography for purifying subnanomole levels of polypeptides for microsequencing  Academic Article
• Using Artificial Neural Networks to Predict Biological Activity from Simple Molecular Structural Considerations  Academic Article
• Variation in Condensed Tannin Content, Composition and Polymer Length Distribution in the Skin of 36 Grape Cultivars  Academic Article
• Vascular rho kinases and their potential therapeutic applications  Academic Article
• Zhongguo Zhongyao Zazhi  Journal
• [6]-gingerol as a cancer chemopreventive agent: A review of its activity on different steps of the metastatic process  Academic Article
• s-cis, s-trans Isomerism about the Ala-Pro peptide bond in Nα-phospho- and Nα-phosphono-l-alanyl-l-prolines by 31P n.m.r.  Academic Article