List of works - David Lloyd

'tieredScreen' - Layered Virtual Screening Tool for the Identification of Novel Estrogen Receptor Alpha Modulators.

scientific article

A topological study of prodrugs of 5-fluorouracil

scientific article published in January 2002

Approaches to Scaffold Hopping

scientific article published in December 2013

Benzothiepin-derived molecular scaffolds for estrogen receptor modulators: synthesis and antagonistic effects in breast cancer cells.

scientific article published on October 2007

Beyond the ligand-binding pocket: targeting alternate sites in nuclear receptors.

scientific article

Cell volume control in phospholemman (PLM) knockout mice: do cardiac myocytes demonstrate a regulatory volume decrease and is this influenced by deletion of PLM?

scientific article

Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries

scientific article

Consensus Computational Ligand-Based Design for the Identification of Novel Modulators of Human Estrogen Receptor Alpha

scientific article

Considerations in compound database preparation--"hidden" impact on virtual screening results.

scientific article published in November 2005

Design, Synthesis and Biochemical Evaluation of Novel Selective Estrogen Receptor Ligand Conjugates Incorporating an Endoxifen-Combretastatin Hybrid Scaffold.

scientific article published on 20 July 2016

Development of the β-lactam type molecular scaffold for selective estrogen receptor α modulator action: synthesis and cytotoxic effects in MCF-7 breast cancer cells.

scientific article published in August 2016

Flexible estrogen receptor modulators: synthesis, biochemistry and molecular modeling studies for 3-benzyl-4,6-diarylhex-3-ene and 3,4,6-triarylhex-3-ene derivatives.

scientific article

Guanidinium-based derivatives: searching for new kinase inhibitors.

scientific article

Identification of plasmepsin inhibitors as selective anti-malarial agents using ligand based drug design.

scientific article

Integrated virtual screening for the identification of novel and selective peroxisome proliferator-activated receptor (PPAR) scaffolds

scientific article published on 24 May 2012

Lead identification of conformationally restricted benzoxepin type combretastatin analogs: synthesis, antiproliferative activity, and tubulin effects.

scientific article published on April 2010

Lead identification of conformationally restricted β-lactam type combretastatin analogues: synthesis, antiproliferative activity and tubulin targeting effects.

scientific article published on 22 September 2010

Lead identification of β-lactam and related imine inhibitors of the molecular chaperone heat shock protein 90.

scientific article

Macrophage migration inhibitory factor (MIF) enzymatic activity and lung cancer

scientific article

Molecular topology applied to the discovery of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrole-5-one as a non-ligand-binding-pocket antiandrogen.

scientific article

Neutral alkaline-metal and alkaline-earth-metal derivatives of imidazole and benzimidazole

scientific article published on 03 June 2014

On the effects of permuted input on conformational sampling of drug-like molecules: an evaluation of stochastic proximity embedding.

scientific article published in August 2007

On the molecular pathology of neurodegeneration in IMPDH1-based retinitis pigmentosa.

scientific article

Oncology exploration: charting cancer medicinal chemistry space

scientific article published in February 2006

Permuting input for more effective sampling of 3D conformer space.

scientific article published in March 2006

Rational Ligand-Based Virtual Screening and Structure–Activity Relationship Studies in the Ligand-Binding Domain of the Glucocorticoid Receptor-α ⬇️

scientific article published on June 1, 2009

Retinazone inhibits certain blood-borne human viruses including Ebola virus Zaire.

scientific article

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

scientific article

Screening for inhibitors of tau protein aggregation into Alzheimer paired helical filaments: a ligand based approach results in successful scaffold hopping

scientific article

Structure-activity relationships in non-ligand binding pocket (non-LBP) diarylhydrazide antiandrogens.

scientific article

Structure-activity studies with high-affinity inhibitors of pyroglutamyl-peptidase II.

scientific article published on July 2005

Study of E/Z isomerization in a series of novel non-ligand binding pocket androgen receptor antagonists

scientific article published on 17 August 2012

Synthesis and evaluation of azetidinone analogues of combretastatin A-4 as tubulin targeting agents.

scientific article

Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of anticancer agents

scientific article published on 6 August 2009

Synthesis, biochemical and molecular modelling studies of antiproliferative azetidinones causing microtubule disruption and mitotic catastrophe.

scientific article

Synthesis, biological evaluation, structural-activity relationship, and docking study for a series of benzoxepin-derived estrogen receptor modulators.

scientific article published on 16 September 2008

Synthesis, evaluation and structural studies of antiproliferative tubulin-targeting azetidin-2-ones.

scientific article published on 17 February 2011

Synthesis, structure-activity relationships and antagonistic effects in human MCF-7 breast cancer cells of flexible estrogen receptor modulators.

scientific article published on July 2005

The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models.

scientific article

The vascular targeting agent combretastatin-A4 and a novel cis-Restricted {beta}-Lactam Analogue, CA-432, induce apoptosis in human chronic myeloid leukemia cells and ex vivo patient samples including those displaying multidrug resistance.

scientific article published on 10 August 2010

Theoretical studies of parent 1-, 2-, 3-pyrazolines and their methylated derivatives

Unbiasing scoring functions: a new normalization and rescoring strategy

scientific article published on 07 June 2007

Virtual screening of the estrogen receptor.

scientific article

“True” Antiandrogens—Selective Non-Ligand-Binding Pocket Disruptors of Androgen Receptor–Coactivator Interactions: Novel Tools for Prostate Cancer ⬇️

scientific article published on February 10, 2012

List of works by David Lloyd

'tieredScreen' - Layered Virtual Screening Tool for the Identification of Novel Estrogen Receptor Alpha Modulators.

A topological study of prodrugs of 5-fluorouracil

Approaches to Scaffold Hopping

Benzothiepin-derived molecular scaffolds for estrogen receptor modulators: synthesis and antagonistic effects in breast cancer cells.

Beyond the ligand-binding pocket: targeting alternate sites in nuclear receptors.

Cell volume control in phospholemman (PLM) knockout mice: do cardiac myocytes demonstrate a regulatory volume decrease and is this influenced by deletion of PLM?

Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries

Consensus Computational Ligand-Based Design for the Identification of Novel Modulators of Human Estrogen Receptor Alpha

Considerations in compound database preparation--"hidden" impact on virtual screening results.

Design, Synthesis and Biochemical Evaluation of Novel Selective Estrogen Receptor Ligand Conjugates Incorporating an Endoxifen-Combretastatin Hybrid Scaffold.

Development of the β-lactam type molecular scaffold for selective estrogen receptor α modulator action: synthesis and cytotoxic effects in MCF-7 breast cancer cells.

Flexible estrogen receptor modulators: synthesis, biochemistry and molecular modeling studies for 3-benzyl-4,6-diarylhex-3-ene and 3,4,6-triarylhex-3-ene derivatives.

Guanidinium-based derivatives: searching for new kinase inhibitors.

Identification of plasmepsin inhibitors as selective anti-malarial agents using ligand based drug design.

Integrated virtual screening for the identification of novel and selective peroxisome proliferator-activated receptor (PPAR) scaffolds

Lead identification of conformationally restricted benzoxepin type combretastatin analogs: synthesis, antiproliferative activity, and tubulin effects.

Lead identification of conformationally restricted β-lactam type combretastatin analogues: synthesis, antiproliferative activity and tubulin targeting effects.

Lead identification of β-lactam and related imine inhibitors of the molecular chaperone heat shock protein 90.

Macrophage migration inhibitory factor (MIF) enzymatic activity and lung cancer

Molecular topology applied to the discovery of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrole-5-one as a non-ligand-binding-pocket antiandrogen.

Neutral alkaline-metal and alkaline-earth-metal derivatives of imidazole and benzimidazole

On the effects of permuted input on conformational sampling of drug-like molecules: an evaluation of stochastic proximity embedding.

On the molecular pathology of neurodegeneration in IMPDH1-based retinitis pigmentosa.

Oncology exploration: charting cancer medicinal chemistry space

Permuting input for more effective sampling of 3D conformer space.

Rational Ligand-Based Virtual Screening and Structure–Activity Relationship Studies in the Ligand-Binding Domain of the Glucocorticoid Receptor-α ⬇️

Retinazone inhibits certain blood-borne human viruses including Ebola virus Zaire.

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

Screening for inhibitors of tau protein aggregation into Alzheimer paired helical filaments: a ligand based approach results in successful scaffold hopping

Structure-activity relationships in non-ligand binding pocket (non-LBP) diarylhydrazide antiandrogens.

Structure-activity studies with high-affinity inhibitors of pyroglutamyl-peptidase II.

Study of E/Z isomerization in a series of novel non-ligand binding pocket androgen receptor antagonists

Synthesis and evaluation of azetidinone analogues of combretastatin A-4 as tubulin targeting agents.

Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of anticancer agents

Synthesis, biochemical and molecular modelling studies of antiproliferative azetidinones causing microtubule disruption and mitotic catastrophe.

Synthesis, biological evaluation, structural-activity relationship, and docking study for a series of benzoxepin-derived estrogen receptor modulators.

Synthesis, evaluation and structural studies of antiproliferative tubulin-targeting azetidin-2-ones.

Synthesis, structure-activity relationships and antagonistic effects in human MCF-7 breast cancer cells of flexible estrogen receptor modulators.

The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models.

The vascular targeting agent combretastatin-A4 and a novel cis-Restricted {beta}-Lactam Analogue, CA-432, induce apoptosis in human chronic myeloid leukemia cells and ex vivo patient samples including those displaying multidrug resistance.

Theoretical studies of parent 1-, 2-, 3-pyrazolines and their methylated derivatives

Unbiasing scoring functions: a new normalization and rescoring strategy

Virtual screening of the estrogen receptor.

“True” Antiandrogens—Selective Non-Ligand-Binding Pocket Disruptors of Androgen Receptor–Coactivator Interactions: Novel Tools for Prostate Cancer ⬇️