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List of works by Tudor I Oprea

2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L.

scientific article published on 22 October 2007

A Novel Pharmacologic Activity of Ketorolac for Therapeutic Benefit in Ovarian Cancer Patients

scientific article

A Scaffold-Tree-Merging Strategy for Prospective Bioactivity Annotation of γ-Pyrones

scientific article published on 01 May 2010

A Selective Ligand for Estrogen Receptor Proteins Discriminates Rapid and Genomic Signaling

scientific article published on 06 November 2019

A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research

scientific article published on 05 November 2020

A chemogenomic analysis of ionization constants--implications for drug discovery

scientific article

A competitive nucleotide binding inhibitor: in vitro characterization of Rab7 GTPase inhibition

scientific article

A comprehensive map of molecular drug targets.

scientific article published on 2 December 2016

A critical overview of computational approaches employed for COVID-19 drug discovery

publication published on 02 July 2021

A crowdsourcing evaluation of the NIH chemical probes

scientific article (publication date: July 2009)

A non-peptide receptor inhibitor with selectivity for one of the neutrophil formyl peptide receptors, FPR 1.

scientific article published on 3 March 2012

A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields

scientific article

A novel flow cytometric HTS assay reveals functional modulators of ATP binding cassette transporter ABCB6

scientific article

A novel receptor cross-talk between the ATP receptor P2Y2 and formyl peptide receptors reactivates desensitized neutrophils to produce superoxide

scientific article published in February 2014

A pepducin designed to modulate P2Y2R function interacts with FPR2 in human neutrophils and transfers ATP to an NADPH-oxidase-activating ligand through a receptor cross-talk mechanism

scientific article

A selective ATP-binding cassette subfamily G member 2 efflux inhibitor revealed via high-throughput flow cytometry

scientific article

A systems chemical biology study of malate synthase and isocitrate lyase inhibition in Mycobacterium tuberculosis during active and NRP growth

scientific article

Activation of Rho Family GTPases by Small Molecules.

scientific article

Activation of dioxin response element (DRE)-associated genes by benzo(a)pyrene 3,6-quinone and benzo(a)pyrene 1,6-quinone in MCF-10A human mammary epithelial cells

scientific article

Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes

scientific article

An Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and Disciplines

scientific article

An automated PLS search for biologically relevant QSAR descriptors

scientific article published in July 2004

An automated high-throughput cell-based multiplexed flow cytometry assay to identify novel compounds to target Candida albicans virulence-related proteins

scientific article

Antibacterial activity of pepducins, allosterical modulators of formyl peptide receptor signaling

scientific article published on 3 March 2014

Artificial intelligence, drug repurposing and peer review

scientific article published on 14 September 2020

Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer-Aided Drug Repurposing.

scientific article published on March 2011

BDDCS applied to over 900 drugs

scientific article

BDDCS class prediction for new molecular entities

scientific article

BDDCS, the Rule of 5 and drugability

scientific article published on 13 May 2016

Badapple: promiscuity patterns from noisy evidence

scientific article

Bioactivity-guided mapping and navigation of chemical space.

scientific article

Biomolecular screening of formylpeptide receptor ligands with a sensitive, quantitative, high-throughput flow cytometry platform

Black Swans and white tablets

article

Bradycardic effects mediated by activation of G protein-coupled estrogen receptor in rat nucleus ambiguus

scientific article published on 26 October 2012

CFP-10 from Mycobacterium tuberculosis selectively activates human neutrophils through a pertussis toxin-sensitive chemotactic receptor

scientific article published on 20 October 2014

CHEMICAL AND BIOLOGICAL DESCRIPTOR INTEGRATION IMPROVES COMPUTATIONAL MODELING OF IN VIVO RAT TOXICITY.

scientific article

COVIDomic: A multi-modal cloud-based platform for identification of risk factors associated with COVID-19 severity

scientific article published on 14 July 2021

Can BDDCS illuminate targets in drug design?

scientific article published on 01 October 2019

Chapter 2. Drug-Like Physicochemical Properties

Chapter 8. Early ADME/T Predictions: Toy or Tool?

Characterization of a Cdc42 protein inhibitor and its use as a molecular probe

scientific article published on 4 February 2013

Characterization of a Cdc42 protein inhibitor and its use as a molecular probe.

scientific article published in March 2014

ChemProt-2.0: visual navigation in a disease chemical biology database

scientific article

ChemProt-3.0: a global chemical biology diseases mapping

scientific article published on 13 February 2016

ChemProt: a disease chemical biology database

scientific article

Chemical database preparation for compound acquisition or virtual screening

scientific article published in January 2006

Chemical information management in drug discovery: optimizing the computational and combinatorial chemistry interfaces.

scientific article

Chemical space navigation in lead discovery

scientific article

Cheminformatics and drug discovery

Cheminformatics: a tool for decision-makers in drug discovery.

scientific article

Chemography: the art of navigating in chemical space.

scientific article

Chemoinformatics and the Quest for Leads in Drug Discovery

Chemoinformatics in Lead Discovery

Chronic obstructive pulmonary disease phenotypes using cluster analysis of electronic medical records.

scientific article

Comparison of 71 bipolar disorder pharmacotherapies for kidney disorder risk: The potential hazards of polypharmacy

scientific article published on 08 April 2019

Compound Collection Preparation for Virtual Screening ⬇️

scientific article published on 01 January 2012

Computational and Practical Aspects of Drug Repositioning

scientific article (publication date: 2015)

Computational systems chemical biology

scientific article published on January 2011

Conformational mAb as a tool for integrin ligand discovery

scientific article

Correction: QSAR without borders

scientific article published on 22 May 2020

Cross-pharmacology analysis of G protein-coupled receptors

scientific article published on January 2011

Current trends in lead discovery: are we looking for the appropriate properties?

scientific article

Current trends in lead discovery: are we looking for the appropriate properties?

scientific article published on 01 May 2002

Deciphering the Plasma Proteome of Type 2 Diabetes

scientific article published on 14 September 2020

Defining the microbial effluxome in the content of the host-microbiome interaction

scientific article published on 19 February 2015

Descriptor collision and confusion: toward the design of descriptors to mask chemical structures

scientific article published in September 2005

Detection of intracellular granularity induction in prostate cancer cell lines by small molecules using the HyperCyt high-throughput flow cytometry system

scientific article

Diabetes mellitus risk for 102 drugs and drug combinations used in patients with bipolar disorder

scientific article published on 09 November 2019

Discovery of a novel selective PPARγ ligand with partial agonist binding properties by integrated in silico/in vitro work flow.

scientific article

Discovery of a specific inhibitor of human GLUT5 by virtual screening and in vitro transport evaluation

scientific article

Discovery of selective probes and antagonists for G-protein-coupled receptors FPR/FPRL1 and GPR30

scientific article

Diseases 2.0: a weekly updated database of disease–gene associations from text mining and data integration

scientific article published in 2022

Dissociation of I domain and global conformational changes in LFA-1: refinement of small molecule-I domain structure-activity relationships

scientific article

Distant collaboration in drug discovery: the LINK3D project

scientific article

Distribution and characterization of estrogen receptor G protein-coupled receptor 30 in the rat central nervous system

scientific article

Drug Repurposing from an Academic Perspective

scientific article published on January 2011

Drug Repurposing: Far Beyond New Targets for Old Drugs ⬇️

scientific article published on July 24, 2012

Drug target ontology to classify and integrate drug discovery data

scientific article

DrugCentral 2018: an update

scientific article published in January 2019

DrugCentral 2021 supports drug discovery and repositioning

scientific article published on 05 November 2020

DrugCentral: online drug compendium

scientific article (publication date: 26 October 2016)

Duplex high-throughput flow cytometry screen identifies two novel formylpeptide receptor family probes

scientific article

Efficient calculation of molecular properties from simulation using kernel molecular dynamics.

scientific article published on 2 August 2008

Emerging trends in the discovery of natural product antibacterials

scientific article published on 24 July 2013

Erratum to: Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes

scientific article (publication date: 2016)

Erratum: A crowdsourcing evaluation of the NIH chemical probes

article

Erratum: Corrigendum: Interactive exploration of chemical space with Scaffold Hunter

scholarly article published in Nature Chemical Biology

Estimation of Maximum Recommended Therapeutic Dose Using Predicted Promiscuity and Potency

scientific article published on 13 October 2016

Estrogen rapidly modulates 5-hydroxytrytophan-induced visceral hypersensitivity via GPR30 in rats

scientific article

Estrogen signaling through the transmembrane G protein-coupled receptor GPR30.

scientific article published on January 2008

Exemestane's 17-hydroxylated metabolite exerts biological effects as an androgen

scientific article published on 7 November 2007

Exploring the dark genome: implications for precision medicine

scientific article published on 04 July 2019

Expression of estrogen receptor GPR30 in the rat spinal cord and in autonomic and sensory ganglia

scientific article published on May 2009

FRET detection of lymphocyte function-associated antigen-1 conformational extension.

scientific article

Far away from the lamppost

scientific article published on 11 December 2018

Fitting the complexity of GPCRs modulation into simple hypotheses of ligand design

scientific article

Flow cytometry for high-throughput, high-content screening

scientific article

Fluorescent substrates for flow cytometric evaluation of efflux inhibition in ABCB1, ABCC1, and ABCG2 transporters

scientific article

Formalizing drug indications on the road to therapeutic intent.

scientific article published in November 2017

G protein-coupled estrogen receptor 1-mediated effects in the rat myometrium

scientific article published on 24 August 2011

G protein-coupled receptor 30 (GPR30) mediates gene expression changes and growth response to 17beta-estradiol and selective GPR30 ligand G-1 in ovarian cancer cells

scientific article published on February 2007

GPR30: a novel therapeutic target in estrogen-related disease

scientific article published on 11 February 2008

Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)

scientific article published in January 2016

High-Throughput Flow Cytometry

High-Throughput Flow Cytometry Screening of Multidrug Efflux Systems.

scientific article published in January 2018

High-throughput flow cytometry for drug discovery

scientific article published in May 2007

High-throughput flow cytometry to detect selective inhibitors of ABCB1, ABCC1, and ABCG2 transporters

scientific article

High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors

scientific article

High-throughput screen for the chemical inhibitors of antiapoptotic bcl-2 family proteins by multiplex flow cytometry

scientific article

High-throughput screening for daunorubicin-mediated drug resistance identifies mometasone furoate as a novel ABCB1-reversal agent

scientific article

High-throughput screening with HyperCyt flow cytometry to detect small molecule formylpeptide receptor ligands

scientific article published in June 2005

Highly efficient synthesis and characterization of the GPR30-selective agonist G-1 and related tetrahydroquinoline analogs

scientific article

How many rare diseases are there?

scientific article published on 01 February 2020

How to Illuminate the Druggable Genome Using Pharos

scientific article published on 01 March 2020

How to Prepare a Compound Collection Prior to Virtual Screening

scientific article published on 01 January 2019

Identification of a GPER/GPR30 antagonist with improved estrogen receptor counterselectivity

scientific article published on 14 July 2011

Identification of a functional water channel in cytochrome P450 enzymes.

scientific article

Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes

scientific article

Improving the prediction of the brain disposition for orally administered drugs using BDDCS.

scientific article

In memoriam: Francisc Schneider (1933‐2017)

In silico toxicology protocols

scientific article published on 17 April 2018

In vitro differentiation of human mesenchymal stem cells to epithelial lineage

scientific article published on May 2007

In vivo effects of a GPR30 antagonist

scientific article

InContext: curation of medical context for drug indications

scientific article published on 12 February 2021

Integrating virtual screening in lead discovery

scientific article published in August 2004

Integration of virtual and physical screening

Integration of virtual screening with high-throughput flow cytometry to identify novel small molecule formylpeptide receptor antagonists

scientific article published on 23 August 2005

Interactive exploration of chemical space with Scaffold Hunter

scientific article

Intracellular cannabinoid type 1 (CB1) receptors are activated by anandamide

scientific article

Is there a difference between leads and drugs? A historical perspective

scientific article

Lead-like, drug-like or "Pub-like": how different are they?

scientific article

Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952-2016.

scientific article published on 3 February 2018

Ligand-based identification of environmental estrogens

scientific article published in December 1996

Ligand-based virtual screening by novelty detection with self-organizing maps

scientific article

Ligand-directed profiling of organelles with internalizing phage libraries

scientific article published on 2 February 2015

Ligand-directed targeting of lymphatic vessels uncovers mechanistic insights in melanoma metastasis

scientific article

Linking Pharmacology to Clinical Reports: Cyclobenzaprine and Its Possible Association With Serotonin Syndrome ⬇️

scientific article published on 05 October 2011

MTD-ADJ: a multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities

scientific article

MTD-PLS: A PLS-based variant of the MTD method. 2. Mapping ligand-receptor interactions. Enzymatic acetic acid esters hydrolysis

scientific article published on 01 July 2002

MTD-PLS: a PLS variant of the minimal topologic difference method. III. Mapping interactions between estradiol derivatives and the alpha estrogenic receptor.

scientific article published in September 2005

MTD-PLS: a PLS-based variant of the MTD method. A 3D-QSAR analysis of receptor affinities for a series of halogenated dibenzoxin and biphenyl derivatives

scientific article published in January 2001

Mechanisms of G protein-coupled estrogen receptor-mediated spinal nociception

scientific article

Microbial efflux pump inhibition: tactics and strategies

scientific article

Model-free drug-likeness from fragments

scientific article published in August 2010

Modulation of bitter taste perception by a small molecule hTAS2R antagonist

scientific article published on 27 May 2010

Mondo: Unifying diseases for the world, by the world

Next-generation QSAR

scientific article published on 01 March 2011

Next-generation therapeutics

Novel Activities of Select NSAID R-Enantiomers against Rac1 and Cdc42 GTPases

scientific article

Novel chemical space exploration via natural products

scientific article

Novel derivatives of 1,3,4-oxadiazoles are potent mitostatic agents featuring strong microtubule depolymerizing activity in the sea urchin embryo and cell culture assays

scientific article

Novel drug targets in 2018

scientific article published on 26 March 2019

Novel drug targets in 2019

scientific article published on 09 April 2020

Obituary: Toshio Fujita, QSAR pioneer.

scientific article published on 8 November 2017

Of possible cheminformatics futures

scientific article

Off-patent drug repositioning

scientific article published on 02 September 2020

Oncology exploration: charting cancer medicinal chemistry space

scientific article published in February 2006

Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?

scientific article

P2Y2 receptor signaling in neutrophils is regulated from inside by a novel cytoskeleton-dependent mechanism

scientific article published on 17 July 2015

Pharmacokinetically based mapping device for chemical space navigation

scientific article published in July 2002

Pharos: Collating protein information to shed light on the druggable genome

scientific article

Post-high-throughput screening analysis: an empirical compound prioritization scheme

scientific article published in August 2005

Profiling a Selective Probe for RTG Branch of Yeast TORC1 Signaling Pathway

scientific article published on 10 May 2013

Property distribution of drug-related chemical databases.

scientific article

Protein biomarker druggability profiling.

scientific article published on 25 January 2017

Proteomic analysis defines kinase taxonomies specific for subtypes of breast cancer.

scientific article

Publisher Correction: Therapies for rare diseases: therapeutic modalities, progress and challenges ahead

scientific article published on 01 April 2020

Pursuing the leadlikeness concept in pharmaceutical research.

scientific article

QSAR modeling of the blood-brain barrier permeability for diverse organic compounds

scientific article

QSAR without borders

scientific article published on 01 May 2020

Quantifying the relationships among drug classes

scientific article published on 13 March 2008

REDIAL-2020: A Suite of Machine Learning Models to Estimate Anti-SARS-CoV-2 Activities

scientific article published on 16 September 2020

Rapid Estimation of Hydrophobicity for Virtual Combinatorial Library Analysis ⬇️

scientific article published on January 1, 2001

Rapid evaluation of synthetic and molecular complexity for in silico chemistry

scientific article published in September 2005

Scaffold topologies. 1. Exhaustive enumeration up to eight rings

scientific article

Scaffold topologies. 2. Analysis of chemical databases

scientific article

Selective Bcl-2 Inhibitor Probes

scientific article published on 10 May 2013

Selective Efflux Inhibition of ATP-binding Cassette Sub-family G Member 2

scientific article published on 10 May 2013

Small molecule inhibitors of hantavirus infection

scientific article published on 19 September 2010

SmartGraph: a network pharmacology investigation platform

scholarly article by Gergely Zahoránszky-Kőhalmi et al published 21 January 2020 in Journal of Cheminformatics

Solid-phase synthesis of libraries generated from a 4-phenyl-2-carboxy-piperazine scaffold.

scientific article

Steroid-binding G-protein-coupled receptors: new drug discovery targets for old ligands

scientific article published on July 2006

Strategies for compound selection

scientific article

Supervised learning with word embeddings derived from PubMed captures latent knowledge about protein kinases and cancer

scientific article published on 08 December 2021

Surface descriptors for protein-ligand affinity prediction

scientific article published in January 2003

Surrogate data--a secure way to share corporate data

scientific article

Systems chemical biology

scientific article

TCRD and Pharos 2021: mining the human proteome for disease biology

scientific article published on 06 November 2020

TIN-X: target importance and novelty explorer

scientific article published on 07 April 2017

Targeting the transposase domain of the DNA repair component Metnase to enhance chemotherapy

scientific article

Temporal disease trajectories condensed from population-wide registry data covering 6.2 million patients

scientific article (publication date: 24 June 2014)

The CARLSBAD database: a confederated database of chemical bioactivities

scientific article published on 21 June 2013

The Design of Leadlike Combinatorial Libraries

scientific article

The G protein-coupled receptor GPR30 inhibits proliferation of estrogen receptor-positive breast cancer cells.

scientific article

The University of New Mexico Center for Molecular Discovery

scientific article

The human endogenous metabolome as a pharmacology baseline for drug discovery

scientific article published on 19 June 2019

The ins and outs of GPR30: a transmembrane estrogen receptor

scientific article published on 6 March 2008

The leukocyte chemotactic receptor FPR2, but not the closely related FPR1, is sensitive to cell-penetrating pepducins with amino acid sequences descending from the third intracellular receptor loop

scientific article published on 2 April 2013

The significance of acid/base properties in drug discovery

scientific article published on January 2013

Therapies for rare diseases: therapeutic modalities, progress and challenges ahead

scientific article published on 13 December 2019

Three small molecule pan activator families of Ras-related GTPases

Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules

scientific article published in December 1993

Three-dimensional model of a selective theophylline-binding RNA molecule

scientific article published in July 1996

Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes

scientific article published in July 1994

Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors

scientific article published on June 1996

Toward minimalistic modeling of oral drug absorption

scientific article published in October 1999

Transporter-mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to Target

scientific article published on January 2010

Understanding drug-likeness

Understanding virulence mechanisms in M. tuberculosis infection via A circuit-based simulation framework

scientific article published on 01 January 2008

Unexplored therapeutic opportunities in the human genome

scientific article published on 23 March 2018

Unexplored therapeutic opportunities in the human genome.

scientific article published on 23 February 2018

Virtual Screening in Lead Discovery: A Viewpoint

scientific article published on 31 January 2002

Virtual and <i>In Vitro</i> Antiviral Screening Revive Therapeutic Drugs for COVID-19

scientific article published on 14 October 2020

Virtual and biomolecular screening converge on a selective agonist for GPR30.

scientific article published on 5 March 2006

Virtual screening applications: a study of ligand-based methods and different structure representations in four different scenarios

scientific article published in October 2007

WOMBAT: World of Molecular Bioactivity

Will Artificial Intelligence for Drug Discovery Impact Clinical Pharmacology?

scientific article published on 03 March 2020

hERG classification model based on a combination of support vector machine method and GRIND descriptors

scientific article

iPHACE: integrative navigation in pharmacological space

scientific article

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