List of works - Daniel R McMasters

9-hydroxyazafluorenes and their use in thrombin inhibitors

scientific article published in April 2005

Analysis of acyclic nucleoside modifications in siRNAs finds sensitivity at position 1 that is restored by 5'-terminal phosphorylation both in vitro and in vivo.

scientific article

Characterization of resistance to non-obligate chain-terminating ribonucleoside analogs that inhibit hepatitis C virus replication in vitro

scientific article published on 8 September 2003

Design and synthesis of potent and selective macrocyclic thrombin inhibitors

scientific article

Design, synthesis and SAR of a series of 1,3,5-trisubstituted benzenes as thrombin inhibitors

scientific article published on 28 December 2010

Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization

scientific article published in October 2005

Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors

scientific article

Discovery of Benzimidazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys

scientific article published on 7 April 2015

Discovery of Spirocyclic Aldosterone Synthase Inhibitors as Potential Treatments for Resistant Hypertension

scientific article published on 22 November 2016

Discovery of Triazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys

scientific article published on 17 July 2015

Discovery of a novel class of isoxazoline voltage gated sodium channel blockers

scientific article published on 6 August 2009

Discovery of indazole aldosterone synthase (CYP11B2) inhibitors as potential treatments for hypertension

scientific article published on 8 April 2017

Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain

scientific article

Discovery of orally active hepatoselective glucokinase activators for treatment of Type II Diabetes Mellitus

scientific article published on 31 October 2016

Discovery of potent, selective 4-fluoroproline-based thrombin inhibitors with improved metabolic stability

scientific article published on 25 July 2006

Dissecting Therapeutic Resistance to ERK Inhibition

scientific article

Genetic algorithms in 3D-QSAR: The use of multiple ligand orientations for improved predictions of toxicity

scientific article published in January 1999

Guest editorial for special issue on "ADME and Physical Properties"

scientific article published on 08 December 2007

Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists.

scientific article published on 5 October 2006

Imidazole acetic acid TAFIa inhibitors: SAR studies centered around the basic P(1)(') group

scientific article published in May 2004

Impact of pH on plasma protein binding in equilibrium dialysis

scientific article published on 18 March 2008

Inhibition of recombinant cytochrome P450 isoforms 2D6 and 2C9 by diverse drug-like molecules

scientific article published on 9 June 2007

Inhibitory Effect of 2'-Substituted Nucleosides on Hepatitis C Virus Replication Correlates with Metabolic Properties in Replicon Cells

scientific article

Low molecular weight thrombin inhibitors with excellent potency, metabolic stability, and oral bioavailability

scientific article published in August 2004

Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines

scientific article (publication date: 13 February 2003)

Multiple-conformation and protonation-state representation in 4D-QSAR: the neurokinin-1 receptor system

scientific article published in November 2000

Novel, highly potent systemic glucokinase activators for the treatment of Type 2 Diabetes Mellitus

scientific article published on 31 October 2016

Ochratoxins: Molecular strategies for developing an antidote

scientific article published in January 1998

P2 pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold

scientific article published in June 2005

QSAR models for predicting the similarity in binding profiles for pairs of protein kinases and the variation of models between experimental data sets

scientific article published in August 2009

Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation

scientific article published on 16 March 2020

Spectroscopy and reactivity of Kekulé hydrocarbons with very small singlet-triplet gaps

scientific article published in January 2001

Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening

scientific article

Spiroimidazolidinone NPC1L1 inhibitors. Part 2: structure-activity studies and in vivo efficacy

scientific article published on 8 October 2010

Stereoselective synthesis of a potent thrombin inhibitor by a novel P2-P3 lactone ring opening

scientific article

Structure-activity relationship of purine ribonucleosides for inhibition of hepatitis C virus RNA-dependent RNA polymerase

scientific article published on April 2004

Synthesis and biological evaluation of 5R- and 5S-methyl substituted D- and L-configuration 1,3-dioxolane nucleoside analogs

scientific article published on December 2004

Synthesis and evaluation of imidazole acetic acid inhibitors of activated thrombin-activatable fibrinolysis inhibitor as novel antithrombotics

scientific article

The aromaticity of pyracylene: an experimental and computational study of the energetics of the hydrogenation of acenaphthylene and pyracylene.

scientific article published in March 2002

Unexpected enhancement of thrombin inhibitor potency with o-aminoalkylbenzylamides in the P1 position

scientific article published on 01 October 2003

Use of density functional calculations to predict the regioselectivity of drugs and molecules metabolized by aldehyde oxidase

scientific article published on 25 August 2007

[Genetic algorithms in 3D-QSAR: Predicting the toxicity of dibenzodioxins, dibenzofurans and biphenyls]

scientific article published on 01 January 1999

eCounterscreening: using QSAR predictions to prioritize testing for off-target activities and setting the balance between benefit and risk

scientific article published on 20 January 2015

List of works by Daniel R McMasters

9-hydroxyazafluorenes and their use in thrombin inhibitors

Analysis of acyclic nucleoside modifications in siRNAs finds sensitivity at position 1 that is restored by 5'-terminal phosphorylation both in vitro and in vivo.

Characterization of resistance to non-obligate chain-terminating ribonucleoside analogs that inhibit hepatitis C virus replication in vitro

Design and synthesis of potent and selective macrocyclic thrombin inhibitors

Design, synthesis and SAR of a series of 1,3,5-trisubstituted benzenes as thrombin inhibitors

Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization

Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors

Discovery of Benzimidazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys

Discovery of Spirocyclic Aldosterone Synthase Inhibitors as Potential Treatments for Resistant Hypertension

Discovery of Triazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys

Discovery of a novel class of isoxazoline voltage gated sodium channel blockers

Discovery of indazole aldosterone synthase (CYP11B2) inhibitors as potential treatments for hypertension

Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain

Discovery of orally active hepatoselective glucokinase activators for treatment of Type II Diabetes Mellitus

Discovery of potent, selective 4-fluoroproline-based thrombin inhibitors with improved metabolic stability

Dissecting Therapeutic Resistance to ERK Inhibition

Genetic algorithms in 3D-QSAR: The use of multiple ligand orientations for improved predictions of toxicity

Guest editorial for special issue on "ADME and Physical Properties"

Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists.

Imidazole acetic acid TAFIa inhibitors: SAR studies centered around the basic P(1)(') group

Impact of pH on plasma protein binding in equilibrium dialysis

Inhibition of recombinant cytochrome P450 isoforms 2D6 and 2C9 by diverse drug-like molecules

Inhibitory Effect of 2'-Substituted Nucleosides on Hepatitis C Virus Replication Correlates with Metabolic Properties in Replicon Cells

Low molecular weight thrombin inhibitors with excellent potency, metabolic stability, and oral bioavailability

Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines

Multiple-conformation and protonation-state representation in 4D-QSAR: the neurokinin-1 receptor system

Novel, highly potent systemic glucokinase activators for the treatment of Type 2 Diabetes Mellitus

Ochratoxins: Molecular strategies for developing an antidote

P2 pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold

QSAR models for predicting the similarity in binding profiles for pairs of protein kinases and the variation of models between experimental data sets

Smallest Maximum Intramolecular Distance: A Novel Method to Mitigate Pregnane Xenobiotic Receptor Activation

Spectroscopy and reactivity of Kekulé hydrocarbons with very small singlet-triplet gaps

Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening

Spiroimidazolidinone NPC1L1 inhibitors. Part 2: structure-activity studies and in vivo efficacy

Stereoselective synthesis of a potent thrombin inhibitor by a novel P2-P3 lactone ring opening

Structure-activity relationship of purine ribonucleosides for inhibition of hepatitis C virus RNA-dependent RNA polymerase

Synthesis and biological evaluation of 5R- and 5S-methyl substituted D- and L-configuration 1,3-dioxolane nucleoside analogs

Synthesis and evaluation of imidazole acetic acid inhibitors of activated thrombin-activatable fibrinolysis inhibitor as novel antithrombotics

The aromaticity of pyracylene: an experimental and computational study of the energetics of the hydrogenation of acenaphthylene and pyracylene.

Unexpected enhancement of thrombin inhibitor potency with o-aminoalkylbenzylamides in the P1 position

Use of density functional calculations to predict the regioselectivity of drugs and molecules metabolized by aldehyde oxidase

[Genetic algorithms in 3D-QSAR: Predicting the toxicity of dibenzodioxins, dibenzofurans and biphenyls]

eCounterscreening: using QSAR predictions to prioritize testing for off-target activities and setting the balance between benefit and risk